5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole

C24H35NO — CID 118160521

IUPAC5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole
SMILESCC(C)(C)c1cc(-c2ncoc2CC2CCCCC2)cc(C(C)(C)C)c1
InChIInChI=1S/C24H35NO/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)22-21(26-16-25-22)12-17-10-8-7-9-11-17/h13-17H,7-12H2,1-6H3
InChIKeyYQBPXHLKHBROCL-UHFFFAOYSA-N
MW353.55 g/mol
LogP7.06
Rot. Bonds3

About 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole

5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole (PubChem CID 118160521) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole
PubChem CID118160521
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole
SMILESCC(C)(C)c1cc(-c2ncoc2CC2CCCCC2)cc(C(C)(C)C)c1
InChIInChI=1S/C24H35NO/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)22-21(26-16-25-22)12-17-10-8-7-9-11-17/h13-17H,7-12H2,1-6H3
InChIKeyYQBPXHLKHBROCL-UHFFFAOYSA-N
XLogP7.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole 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

ethyl 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole-2-carboxylate
CID 90033688
N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 114459416
5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-N-(2-hydroxy-2-methylpropyl)pyrimidine-2-carboxamide
CID 118186098
4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine
CID 159957482
N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79145110
4-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-1,3-thiazole-2-sulfonamide
CID 118160562
N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79145769
4-(cyclobutylmethyl)-5-propyl-1,3-oxazole
CID 88974502
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571
4-[3-tert-butyl-5-(1-methylcyclopropyl)phenyl]-5-(cyclohexylmethyl)-N-(1,1-dioxothian-4-yl)-1,3-oxazole-2-carboxamide
CID 118186093
1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene
CID 59821631
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 114459250

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole?
The IUPAC name of 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole (CID 118160521) is 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole is CC(C)(C)c1cc(-c2ncoc2CC2CCCCC2)cc(C(C)(C)C)c1.
What is the InChIKey of 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole?
The InChIKey is YQBPXHLKHBROCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)22-21(26-16-25-22)12-17-10-8-7-9-11-17/h13-17H,7-12H2,1-6H3.
What are the key properties of 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole?
5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole has a molecular weight of 353.55 g/mol, XLogP of 7.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole is sourced from PubChem (CID 118160521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).