5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one

C17H15NO4 — CID 123238887

IUPAC5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCOc1cccc(Cn2c(=O)oc3ccc(C(C)=O)cc32)c1
InChIInChI=1S/C17H15NO4/c1-11(19)13-6-7-16-15(9-13)18(17(20)22-16)10-12-4-3-5-14(8-12)21-2/h3-9H,10H2,1-2H3
InChIKeyLQBZHNNONGHSFF-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.85
Rot. Bonds4

About 5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one

5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one (PubChem CID 123238887) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
PubChem CID123238887
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCOc1cccc(Cn2c(=O)oc3ccc(C(C)=O)cc32)c1
InChIInChI=1S/C17H15NO4/c1-11(19)13-6-7-16-15(9-13)18(17(20)22-16)10-12-4-3-5-14(8-12)21-2/h3-9H,10H2,1-2H3
InChIKeyLQBZHNNONGHSFF-UHFFFAOYSA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one
CID 46946073
N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067046
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067053
2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662027
2-amino-4-methylphenol;3-[(3-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one
CID 161026618
5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide
CID 141483091
[3-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]phenyl]carbamic acid
CID 67447475
N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130514
3-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-5-prop-1-en-2-yl-1,3-benzoxazol-2-one
CID 89013607

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one (CID 123238887) is 5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one is COc1cccc(Cn2c(=O)oc3ccc(C(C)=O)cc32)c1.
What is the InChIKey of 5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is LQBZHNNONGHSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11(19)13-6-7-16-15(9-13)18(17(20)22-16)10-12-4-3-5-14(8-12)21-2/h3-9H,10H2,1-2H3.
What are the key properties of 5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 123238887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).