2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol

C29H29NO3 — CID 21196480

IUPAC2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C29H29NO3/c1-32-25-17-10-16-23(19-25)29(31)18-9-8-15-24(29)20-26-30-27(21-11-4-2-5-12-21)28(33-26)22-13-6-3-7-14-22/h2-7,10-14,16-17,19,24,31H,8-9,15,18,20H2,1H3
InChIKeyIVOGEADIBXWYJM-UHFFFAOYSA-N
MW439.56 g/mol
LogP6.64
Rot. Bonds6

About 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol

2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol (PubChem CID 21196480) has the molecular formula C29H29NO3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
PubChem CID21196480
Molecular FormulaC29H29NO3
Molecular Weight439.56 g/mol
Exact Mass439.21
IUPAC Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C29H29NO3/c1-32-25-17-10-16-23(19-25)29(31)18-9-8-15-24(29)20-26-30-27(21-11-4-2-5-12-21)28(33-26)22-13-6-3-7-14-22/h2-7,10-14,16-17,19,24,31H,8-9,15,18,20H2,1H3
InChIKeyIVOGEADIBXWYJM-UHFFFAOYSA-N
XLogP6.64
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol (CID 21196480) is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol is COc1cccc(C2(O)CCCCC2Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is IVOGEADIBXWYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO3/c1-32-25-17-10-16-23(19-25)29(31)18-9-8-15-24(29)20-26-30-27(21-11-4-2-5-12-21)28(33-26)22-13-6-3-7-14-22/h2-7,10-14,16-17,19,24,31H,8-9,15,18,20H2,1H3.
What are the key properties of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol has a molecular weight of 439.56 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 21196480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).