2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide

C13H14N4O4 — CID 62904145

IUPAC2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide
SMILESCCCNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccon2)c1
InChIInChI=1S/C13H14N4O4/c1-2-6-14-9-3-4-11(17(19)20)10(8-9)13(18)15-12-5-7-21-16-12/h3-5,7-8,14H,2,6H2,1H3,(H,15,16,18)
InChIKeyKFNUJMRVMDIDMN-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.66
Rot. Bonds6

About 2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide

2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide (PubChem CID 62904145) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide.

Molecular Properties

Compound Name2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide
PubChem CID62904145
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide
SMILESCCCNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccon2)c1
InChIInChI=1S/C13H14N4O4/c1-2-6-14-9-3-4-11(17(19)20)10(8-9)13(18)15-12-5-7-21-16-12/h3-5,7-8,14H,2,6H2,1H3,(H,15,16,18)
InChIKeyKFNUJMRVMDIDMN-UHFFFAOYSA-N
XLogP2.66
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide
CID 62408663
5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 62167041
3-(ethylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 115548971
2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 62902190
4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 55135799
2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 62904187
N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide
CID 62180251
N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616815
3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 55023839
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
CID 60875833
N-(1-amino-1-oxopropan-2-yl)-5-(ethylamino)-2-nitrobenzamide
CID 62170077
N-[2-(dimethylamino)ethyl]-5-(ethylamino)-2-nitrobenzamide
CID 62171493

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide?
The IUPAC name of 2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide (CID 62904145) is 2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide.
What is the SMILES notation for 2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide?
The canonical SMILES for 2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide is CCCNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccon2)c1.
What is the InChIKey of 2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide?
The InChIKey is KFNUJMRVMDIDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-2-6-14-9-3-4-11(17(19)20)10(8-9)13(18)15-12-5-7-21-16-12/h3-5,7-8,14H,2,6H2,1H3,(H,15,16,18).
What are the key properties of 2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide?
2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide has a molecular weight of 290.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide is sourced from PubChem (CID 62904145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).