3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide

C10H5Cl2N3O4 — CID 55023839

IUPAC3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1ccon1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H5Cl2N3O4/c11-6-3-5(4-7(9(6)12)15(17)18)10(16)13-8-1-2-19-14-8/h1-4H,(H,13,14,16)
InChIKeyNHNQGLYFFBGHDP-UHFFFAOYSA-N
MW302.07 g/mol
LogP3.14
Rot. Bonds3

About 3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide

3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 55023839) has the molecular formula C10H5Cl2N3O4 and a molecular weight of 302.07 g/mol. Its IUPAC name is 3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide
PubChem CID55023839
Molecular FormulaC10H5Cl2N3O4
Molecular Weight302.07 g/mol
Exact Mass300.97
IUPAC Name3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1ccon1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H5Cl2N3O4/c11-6-3-5(4-7(9(6)12)15(17)18)10(16)13-8-1-2-19-14-8/h1-4H,(H,13,14,16)
InChIKeyNHNQGLYFFBGHDP-UHFFFAOYSA-N
XLogP3.14
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)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

4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 55135799
3,5-dichloro-N-(1,2-oxazol-3-yl)benzamide
CID 17249127
3,4-dichloro-5-nitro-N-(1,2-oxazol-4-yl)benzamide
CID 62415250
3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
CID 43215262
3,4-dichloro-N-methyl-5-nitrobenzamide
CID 43215307
N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide
CID 43215256
2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 62902190
N-(2-amino-2-oxoethyl)-3,4-dichloro-5-nitrobenzamide
CID 43216293
3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide
CID 78906552
3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide
CID 107856497
4-chloro-N-hydroxy-3,5-dinitrobenzamide
CID 71370589
2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide
CID 62904145

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide (CID 55023839) is 3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide is O=C(Nc1ccon1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is NHNQGLYFFBGHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O4/c11-6-3-5(4-7(9(6)12)15(17)18)10(16)13-8-1-2-19-14-8/h1-4H,(H,13,14,16).
What are the key properties of 3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 302.07 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 55023839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).