N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H14N4O6 — CID 55363066

IUPACN-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1
InChIInChI=1S/C17H14N4O6/c1-10(22)18-11-3-2-4-12(7-11)19-16(23)9-20-14-6-5-13(21(25)26)8-15(14)27-17(20)24/h2-8H,9H2,1H3,(H,18,22)(H,19,23)
InChIKeyZSHSFEBPEZHDLY-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.10
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 55363066) has the molecular formula C17H14N4O6 and a molecular weight of 370.32 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID55363066
Molecular FormulaC17H14N4O6
Molecular Weight370.32 g/mol
Exact Mass370.09
IUPAC NameN-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1
InChIInChI=1S/C17H14N4O6/c1-10(22)18-11-3-2-4-12(7-11)19-16(23)9-20-14-6-5-13(21(25)26)8-15(14)27-17(20)24/h2-8H,9H2,1H3,(H,18,22)(H,19,23)
InChIKeyZSHSFEBPEZHDLY-UHFFFAOYSA-N
XLogP2.10
TPSA136.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9400129
N-(4-methoxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9402501
N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55563967
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55363165
N-ethyl-2,2,2-trifluoro-N-[[3-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]phenyl]methyl]acetamide
CID 55671461
N-(4-butylphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9404142
N-(2-methyl-1-phenylpropyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60607243
ethyl 1-[3-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]phenyl]pyrazole-3-carboxylate
CID 55688425
N-(3-fluorophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 27825104
N-(2,4-difluorophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9408977
2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-pentylacetamide
CID 78794436
2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-piperidin-1-ylacetamide
CID 9271920

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 55363066) is N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide is CC(=O)Nc1cccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is ZSHSFEBPEZHDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O6/c1-10(22)18-11-3-2-4-12(7-11)19-16(23)9-20-14-6-5-13(21(25)26)8-15(14)27-17(20)24/h2-8H,9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 370.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 55363066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).