C26H29N5O5 | Cheminformatics
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(1R,2S,5S,6S,7S)-2-N-cyclohexyl-7-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-pyridin-3-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Formula:C26H29N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:low (1R,2S,5S,6S,7S)-2-N-cyclohexyl-7-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-pyridin-3-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is a drug-like molecule.
MolName(1R,2S,5S,6S,7S)-2-N-cyclohexyl-7-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-pyridin-3-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
MolecularFormulaC26H29N5O5
SmilesC[C@]1([C@H]([C@@H]2C(N([C@@H]3C(NC4CCCCC4)=O)c4cnccc4)=O)C(Nc4noc(C)c4)=O)O[C@]23C=C1
InChIInChI=1S/C26H29N5O5/c1-15-13-18(30-35-15)29-22(32)19-20-24(34)31(17-9-6-12-27-14-17)21(26(20)11-10-25(19,2)36-26)23(33)28-16-7-4-3-5-8-16/h6,9-14,16,19-21H,3-5,7-8H2,1-2H3,(H,28,33)(H,29,30,32)/t19-,20-,21-,25+,26-/m1/s1
InChIKPQVKFZZNNTYWGG-OZAVXPJBSA-N
TotalMolweight491.546
Molweight491.546
MonoisotopicMass491.21687
CLogP0.7872
CLogS-4.527
H Acceptors10
H Donors2
TotalSurfaceArea353.34
Relative PSA0.31596
PolarSurfaceArea126.66
Druglikeness-1.4249
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.44444
Fragments1
Non HAtoms36
NonCHAtoms10
Electronegative Atoms10
StereoCenters5
Rotatable Bond5
Rings Closures6
Small Rings7
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms14
Symmetricatoms2
Amides3
Aromatic Nitrogens2
StereoConthis enantiomer

Request More Details | (1R,2S,5S,6S,7S)-2-N-cyclohexyl-7-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-pyridin-3-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide


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