4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one

C17H21NO2 — CID 155908029

IUPAC4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
SMILESCc1ccc(C2=NC(CC3CCCCC3)C(=O)O2)cc1
InChIInChI=1S/C17H21NO2/c1-12-7-9-14(10-8-12)16-18-15(17(19)20-16)11-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3
InChIKeyWAOJBOBHEJAUBQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.64
Rot. Bonds3

About 4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one

4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one (PubChem CID 155908029) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
PubChem CID155908029
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
SMILESCc1ccc(C2=NC(CC3CCCCC3)C(=O)O2)cc1
InChIInChI=1S/C17H21NO2/c1-12-7-9-14(10-8-12)16-18-15(17(19)20-16)11-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3
InChIKeyWAOJBOBHEJAUBQ-UHFFFAOYSA-N
XLogP3.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one (CID 155908029) is 4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one is Cc1ccc(C2=NC(CC3CCCCC3)C(=O)O2)cc1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The InChIKey is WAOJBOBHEJAUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-7-9-14(10-8-12)16-18-15(17(19)20-16)11-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one has a molecular weight of 271.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-(4-methylphenyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 155908029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).