N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide

C19H16N4O6 — CID 32892171

IUPACN-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
SMILESO=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H16N4O6/c24-17(20-13-3-1-2-11(8-13)18(25)21-12-4-5-12)10-22-15-9-14(23(27)28)6-7-16(15)29-19(22)26/h1-3,6-9,12H,4-5,10H2,(H,20,24)(H,21,25)
InChIKeyDUMXZBOGCLJKNZ-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.03
Rot. Bonds6

About N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide

N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide (PubChem CID 32892171) has the molecular formula C19H16N4O6 and a molecular weight of 396.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
PubChem CID32892171
Molecular FormulaC19H16N4O6
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC NameN-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
SMILESO=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H16N4O6/c24-17(20-13-3-1-2-11(8-13)18(25)21-12-4-5-12)10-22-15-9-14(23(27)28)6-7-16(15)29-19(22)26/h1-3,6-9,12H,4-5,10H2,(H,20,24)(H,21,25)
InChIKeyDUMXZBOGCLJKNZ-UHFFFAOYSA-N
XLogP2.03
TPSA136.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.03
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'}

Analyze N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 55366968
N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 32892125
N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55363066
2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetohydrazide
CID 63578672
N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55563967
N-(2-fluoro-5-nitrophenyl)-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 35353920
3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 50842111
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55363165
5-nitro-3-(2-oxobutyl)-1,3-benzoxazol-2-one
CID 62040396
N-(4-bromophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9400129
N-(furan-2-ylmethyl)-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 35353534
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate
CID 55467414

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide (CID 32892171) is N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide is O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide?
The InChIKey is DUMXZBOGCLJKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O6/c24-17(20-13-3-1-2-11(8-13)18(25)21-12-4-5-12)10-22-15-9-14(23(27)28)6-7-16(15)29-19(22)26/h1-3,6-9,12H,4-5,10H2,(H,20,24)(H,21,25).
What are the key properties of N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide has a molecular weight of 396.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 32892171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).