5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide

C16H10ClN3O4 — CID 31776990

IUPAC5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H10ClN3O4/c17-11-6-4-10(5-7-11)15-9-14(19-24-15)16(21)18-12-2-1-3-13(8-12)20(22)23/h1-9H,(H,18,21)
InChIKeyMMAUSPKMJCZLPR-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.16
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 31776990) has the molecular formula C16H10ClN3O4 and a molecular weight of 343.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide
PubChem CID31776990
Molecular FormulaC16H10ClN3O4
Molecular Weight343.73 g/mol
Exact Mass343.04
IUPAC Name5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H10ClN3O4/c17-11-6-4-10(5-7-11)15-9-14(19-24-15)16(21)18-12-2-1-3-13(8-12)20(22)23/h1-9H,(H,18,21)
InChIKeyMMAUSPKMJCZLPR-UHFFFAOYSA-N
XLogP4.16
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.16
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'}

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Related Compounds

N-(3-chlorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 75204524
N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962282
5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 139582124
5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37341737
N-(3-nitrophenyl)pyrimidine-4-carboxamide
CID 140508331
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 155943148
5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 100777051
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide
CID 16879164
2,5-dimethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 16953136
5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 37340877

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide (CID 31776990) is 5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MMAUSPKMJCZLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O4/c17-11-6-4-10(5-7-11)15-9-14(19-24-15)16(21)18-12-2-1-3-13(8-12)20(22)23/h1-9H,(H,18,21).
What are the key properties of 5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 343.73 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 31776990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).