[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol

C21H19NO2 — CID 102152279

IUPAC[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1COC(C2C=CC=C2)=N1
InChIInChI=1S/C21H19NO2/c23-21(17-11-3-1-4-12-17,18-13-5-2-6-14-18)19-15-24-20(22-19)16-9-7-8-10-16/h1-14,16,19,23H,15H2/t19-/m0/s1
InChIKeyVMIXADMHIRRBBY-IBGZPJMESA-N
MW317.39 g/mol
LogP3.46
Rot. Bonds4

About [(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol

[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol (PubChem CID 102152279) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol
PubChem CID102152279
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1COC(C2C=CC=C2)=N1
InChIInChI=1S/C21H19NO2/c23-21(17-11-3-1-4-12-17,18-13-5-2-6-14-18)19-15-24-20(22-19)16-9-7-8-10-16/h1-14,16,19,23H,15H2/t19-/m0/s1
InChIKeyVMIXADMHIRRBBY-IBGZPJMESA-N
XLogP3.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol
CID 15780944
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol
CID 140523519
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787
[(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)aziridin-2-yl]-diphenylmethanol
CID 102287249
(5,7-diphenyl-2-adamantyl)-diphenylmethanol
CID 10389992
[(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol
CID 101363491
CID 134992078
CID 134992078
diphenyl(pyrazolidin-3-yl)methanol
CID 78349826
[(2S)-1-methylaziridin-2-yl]-diphenylmethanol
CID 101268186
2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
CID 59101168
4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 70584316
2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol
CID 20596642

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol?
The IUPAC name of [(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol (CID 102152279) is [(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol.
What is the SMILES notation for [(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol?
The canonical SMILES for [(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)[C@@H]1COC(C2C=CC=C2)=N1.
What is the InChIKey of [(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol?
The InChIKey is VMIXADMHIRRBBY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19NO2/c23-21(17-11-3-1-4-12-17,18-13-5-2-6-14-18)19-15-24-20(22-19)16-9-7-8-10-16/h1-14,16,19,23H,15H2/t19-/m0/s1.
What are the key properties of [(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol?
[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol has a molecular weight of 317.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol is sourced from PubChem (CID 102152279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).