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

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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).