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

C16H15NO3 — CID 1431724

IUPAC4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCOc1ccc(CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C16H15NO3/c1-19-13-8-6-12(7-9-13)10-17-14-4-2-3-5-15(14)20-11-16(17)18/h2-9H,10-11H2,1H3
InChIKeyAZJUOKLTAXZCKY-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.62
Rot. Bonds3

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

4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one (PubChem CID 1431724) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
PubChem CID1431724
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCOc1ccc(CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C16H15NO3/c1-19-13-8-6-12(7-9-13)10-17-14-4-2-3-5-15(14)20-11-16(17)18/h2-9H,10-11H2,1H3
InChIKeyAZJUOKLTAXZCKY-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 17047028
methyl 4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxylate
CID 126645833
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18198390
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
4-[(4-methoxyphenyl)methyl]-N-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 147148342
4-(thiophen-3-ylmethyl)-1,4-benzoxazin-3-one
CID 54161143
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]guanidine
CID 111772930
2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(3-oxo-1,4-benzoxazin-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 91425981
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 653720
4-[[3-(aminomethyl)phenyl]methyl]-1,4-benzoxazin-3-one
CID 18071020
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 40715621

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one (CID 1431724) is 4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one is COc1ccc(CN2C(=O)COc3ccccc32)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one?
The InChIKey is AZJUOKLTAXZCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-13-8-6-12(7-9-13)10-17-14-4-2-3-5-15(14)20-11-16(17)18/h2-9H,10-11H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one?
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one has a molecular weight of 269.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 1431724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).