3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one

C15H11NO4 — CID 20965381

IUPAC3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one
SMILESCOc1cccc(C(=O)n2c(=O)oc3ccccc32)c1
InChIInChI=1S/C15H11NO4/c1-19-11-6-4-5-10(9-11)14(17)16-12-7-2-3-8-13(12)20-15(16)18/h2-9H,1H3
InChIKeyLDCIJHACVLSJOL-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.29
Rot. Bonds2

About 3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one

3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one (PubChem CID 20965381) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one
PubChem CID20965381
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one
SMILESCOc1cccc(C(=O)n2c(=O)oc3ccccc32)c1
InChIInChI=1S/C15H11NO4/c1-19-11-6-4-5-10(9-11)14(17)16-12-7-2-3-8-13(12)20-15(16)18/h2-9H,1H3
InChIKeyLDCIJHACVLSJOL-UHFFFAOYSA-N
XLogP2.29
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46521852
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
2-(3-methoxybenzoyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 70586777
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one
CID 162652693
1-(3-methoxybenzoyl)imidazolidin-2-one
CID 54776384
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one
CID 115269709
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one (CID 20965381) is 3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one is COc1cccc(C(=O)n2c(=O)oc3ccccc32)c1.
What is the InChIKey of 3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one?
The InChIKey is LDCIJHACVLSJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-11-6-4-5-10(9-11)14(17)16-12-7-2-3-8-13(12)20-15(16)18/h2-9H,1H3.
What are the key properties of 3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one?
3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one has a molecular weight of 269.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 20965381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).