6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one

C15H17NO3 — CID 11184510

IUPAC6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C15H17NO3/c1-16-12-8-7-11(9-13(12)19-15(16)18)14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyVEBRXEZUVAPMSN-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.89
Rot. Bonds2

About 6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one

6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 11184510) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID11184510
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C15H17NO3/c1-16-12-8-7-11(9-13(12)19-15(16)18)14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyVEBRXEZUVAPMSN-UHFFFAOYSA-N
XLogP2.89
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one
CID 62299889
6-[4-(cyclobutanecarbonyl)-1,4-diazepane-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110809384
3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one
CID 11055336
6-(2,2-dimethylpropanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275157
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one
CID 64815332
3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326
N-(1,1-dioxothiolan-3-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766510
6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275171
N-(1,1-dioxothiolan-3-yl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766511
6-(3,4-difluorobenzoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275173
3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 13038876

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one (CID 11184510) is 6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C(=O)C3CCCCC3)ccc21.
What is the InChIKey of 6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is VEBRXEZUVAPMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16-12-8-7-11(9-13(12)19-15(16)18)14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3.
What are the key properties of 6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one?
6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 11184510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).