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

C16H10ClN3O4 — CID 2962282

IUPACN-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H10ClN3O4/c17-12-8-11(20(22)23)6-7-13(12)18-16(21)14-9-15(24-19-14)10-4-2-1-3-5-10/h1-9H,(H,18,21)
InChIKeyHZRNKHMEUXBUPY-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.16
Rot. Bonds4

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

N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 2962282) has the molecular formula C16H10ClN3O4 and a molecular weight of 343.73 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID2962282
Molecular FormulaC16H10ClN3O4
Molecular Weight343.73 g/mol
Exact Mass343.04
IUPAC NameN-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H10ClN3O4/c17-12-8-11(20(22)23)6-7-13(12)18-16(21)14-9-15(24-19-14)10-4-2-1-3-5-10/h1-9H,(H,18,21)
InChIKeyHZRNKHMEUXBUPY-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

5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 31776990
6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide
CID 62234009
5-chloro-N-(2-chloro-4-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625696
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(2-chloro-4-nitrophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790617
N-(2-chloro-4-nitrophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550703
N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432
N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159
N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 23853374
N-(2-bromo-4-nitrophenyl)-5-(4-butoxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904514
N-[1-[[1-[[1-(2-chloro-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 85426836
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 2962282) is N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is HZRNKHMEUXBUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O4/c17-12-8-11(20(22)23)6-7-13(12)18-16(21)14-9-15(24-19-14)10-4-2-1-3-5-10/h1-9H,(H,18,21).
What are the key properties of N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(2-chloro-4-nitrophenyl)-5-phenyl-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 N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2962282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).