4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one

C17H15NO4 — CID 1088408

IUPAC4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESCOc1ccc(C(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C17H15NO4/c1-21-13-8-6-12(7-9-13)15(19)10-18-14-4-2-3-5-16(14)22-11-17(18)20/h2-9H,10-11H2,1H3
InChIKeyOWISPOWGCGIHNO-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.30
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one

4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one (PubChem CID 1088408) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
PubChem CID1088408
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESCOc1ccc(C(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C17H15NO4/c1-21-13-8-6-12(7-9-13)15(19)10-18-14-4-2-3-5-16(14)22-11-17(18)20/h2-9H,10-11H2,1H3
InChIKeyOWISPOWGCGIHNO-UHFFFAOYSA-N
XLogP2.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Azd-9977
CID 118599727
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
(4-Methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 722098
4-Benzoyl-2-phenyl-4H-benzo[1,4]oxazin-3-one
CID 3254714
4-[(4-methylphenyl)carbonyl]-2-phenyl-2H-1,4-benzoxazin-3(4H)-one
CID 5157550
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
methyl 4-[(Z)-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzoate
CID 24762081
4-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 5295598
Acetamide, 2-(4-acetylphenoxy)-N-phenyl-
CID 204987
6-Acetyl-2H-1,4-benzoxazin-3(4H)-one
CID 3641956
2-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}-6,8-dimethyl-4H-chromen-4-one
CID 4970947

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one (CID 1088408) is 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one is COc1ccc(C(=O)CN2C(=O)COc3ccccc32)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The InChIKey is OWISPOWGCGIHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-13-8-6-12(7-9-13)15(19)10-18-14-4-2-3-5-16(14)22-11-17(18)20/h2-9H,10-11H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one has a molecular weight of 297.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 1088408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).