6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one

C15H11NO4 — CID 3059536

IUPAC6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc(C(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C15H11NO4/c1-19-11-5-2-9(3-6-11)14(17)10-4-7-12-13(8-10)20-15(18)16-12/h2-8H,1H3,(H,16,18)
InChIKeyRRCJCKWWKNEKHF-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.36
Rot. Bonds3

About 6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one

6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one (PubChem CID 3059536) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one
PubChem CID3059536
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc(C(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C15H11NO4/c1-19-11-5-2-9(3-6-11)14(17)10-4-7-12-13(8-10)20-15(18)16-12/h2-8H,1H3,(H,16,18)
InChIKeyRRCJCKWWKNEKHF-UHFFFAOYSA-N
XLogP2.36
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 110766402
6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 81290552
6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 82875002
6-(2,5-dimethylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 43161901
6-(2,6-difluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 82797081
(2-oxo-3H-1,3-benzoxazol-6-yl) 4-tert-butylbenzoate
CID 130411398
6-(2,2-dibromoacetyl)-3H-1,3-benzoxazol-2-one
CID 116827127
6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 43161914
2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate
CID 116862950
6-(4,4-dimethylpentanoyl)-3H-1,3-benzoxazol-2-one
CID 114212569
6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 103298323
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one (CID 3059536) is 6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one is COc1ccc(C(=O)c2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of 6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is RRCJCKWWKNEKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-11-5-2-9(3-6-11)14(17)10-4-7-12-13(8-10)20-15(18)16-12/h2-8H,1H3,(H,16,18).
What are the key properties of 6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one?
6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 269.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 3059536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).