2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

C16H14N2O4 — CID 78838052

IUPAC2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H14N2O4/c19-12-4-1-10(2-5-12)7-15(20)17-11-3-6-14-13(8-11)18-16(21)9-22-14/h1-6,8,19H,7,9H2,(H,17,20)(H,18,21)
InChIKeyYRXRWKNYAWGCOZ-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.90
Rot. Bonds3

About 2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (PubChem CID 78838052) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
PubChem CID78838052
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H14N2O4/c19-12-4-1-10(2-5-12)7-15(20)17-11-3-6-14-13(8-11)18-16(21)9-22-14/h1-6,8,19H,7,9H2,(H,17,20)(H,18,21)
InChIKeyYRXRWKNYAWGCOZ-UHFFFAOYSA-N
XLogP1.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 51153500
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770345
N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770336
2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110205820
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730
4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 81087224
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957972

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (CID 78838052) is 2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is O=C(Cc1ccc(O)cc1)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is YRXRWKNYAWGCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-12-4-1-10(2-5-12)7-15(20)17-11-3-6-14-13(8-11)18-16(21)9-22-14/h1-6,8,19H,7,9H2,(H,17,20)(H,18,21).
What are the key properties of 2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 298.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 78838052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).