(4E)-2-(1-adamantyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

Formula:C19H20N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(1-adamantyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(1-adamantyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
MolecularFormula	C19H20N2O2
Smiles	O=C1OC(C2(CC(C3)C4)CC4CC3C2)=N/C1=C/c1cnccc1
InChI	InChI=1S/C19H20N2O2/c22-17-16(7-12-2-1-3-20-11-12)21-18(23-17)19-8-13-4-14(9-19)6-15(5-13)10-19/h1-3,7,11,13-15H,4-6,8-10H2
InChIK	NSFADJVKBCMNTK-UHFFFAOYSA-N
TotalMolweight	308.38
Molweight	308.38
MonoisotopicMass	308.152478
CLogP	2.0695
CLogS	-4.109
H Acceptors	4
TotalSurfaceArea	223.92
Relative PSA	0.20329
PolarSurfaceArea	51.55
Druglikeness	1.2957
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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