(4E)-2-(1-adamantyl)-4-[(2-hydroxyphenyl)methylidene]-1,3-oxazol-5-one

Formula:C20H21NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(1-adamantyl)-4-[(2-hydroxyphenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(1-adamantyl)-4-[(2-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C20H21NO3
Smiles	Oc1c(/C=C2/N=C(C3(CC(C4)C5)CC5CC4C3)OC2=O)cccc1
InChI	InChI=1S/C20H21NO3/c22-17-4-2-1-3-15(17)8-16-18(23)24-19(21-16)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14,22H,5-7,9-11H2
InChIK	HVLMRFAXXOZLDY-UHFFFAOYSA-N
TotalMolweight	323.391
Molweight	323.391
MonoisotopicMass	323.152144
CLogP	2.7247
CLogS	-4.608
H Acceptors	4
H Donors	1
TotalSurfaceArea	231.51
Relative PSA	0.20582
PolarSurfaceArea	58.89
Druglikeness	1.3431
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	6
StereoCon

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