5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide

C24H26N2O2 — CID 46092577

IUPAC5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(-c3ccc(C4CCCCC4)cc3)on2)c1
InChIInChI=1S/C24H26N2O2/c1-17-6-5-7-18(14-17)16-25-24(27)22-15-23(28-26-22)21-12-10-20(11-13-21)19-8-3-2-4-9-19/h5-7,10-15,19H,2-4,8-9,16H2,1H3,(H,25,27)
InChIKeyWFJJGNKVXOYCQH-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.63
Rot. Bonds5

About 5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide

5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 46092577) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID46092577
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(-c3ccc(C4CCCCC4)cc3)on2)c1
InChIInChI=1S/C24H26N2O2/c1-17-6-5-7-18(14-17)16-25-24(27)22-15-23(28-26-22)21-12-10-20(11-13-21)19-8-3-2-4-9-19/h5-7,10-15,19H,2-4,8-9,16H2,1H3,(H,25,27)
InChIKeyWFJJGNKVXOYCQH-UHFFFAOYSA-N
XLogP5.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 1093781
CID 1093781
CID 1093793
CID 1093793
CID 78428091
CID 78428091
CID 3243805
CID 3243805
CID 52918271
CID 52918271
CID 118557322
CID 118557322
CID 126648983
CID 126648983
CID 1093742
CID 1093742
CID 1093785
CID 1093785
CID 1093787
CID 1093787
CID 1093865
CID 1093865
CID 1249903
CID 1249903

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 46092577) is 5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is Cc1cccc(CNC(=O)c2cc(-c3ccc(C4CCCCC4)cc3)on2)c1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WFJJGNKVXOYCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17-6-5-7-18(14-17)16-25-24(27)22-15-23(28-26-22)21-12-10-20(11-13-21)19-8-3-2-4-9-19/h5-7,10-15,19H,2-4,8-9,16H2,1H3,(H,25,27).
What are the key properties of 5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46092577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).