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

C17H15N3O5 — CID 46436119

IUPACN-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C17H15N3O5/c1-24-15-8-7-12(20(22)23)9-14(15)18-17(21)16-10-13(19-25-16)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,18,21)
InChIKeyNPFWEVOVJCCBIQ-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.74
Rot. Bonds5

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

N-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 46436119) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID46436119
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C17H15N3O5/c1-24-15-8-7-12(20(22)23)9-14(15)18-17(21)16-10-13(19-25-16)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,18,21)
InChIKeyNPFWEVOVJCCBIQ-UHFFFAOYSA-N
XLogP2.74
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
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-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
phenyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 12941467
(1R,2S,3R,4S)-3-[(2-methoxy-5-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11869900
3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
CID 3430269
(5S)-3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093568
3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158034
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158099
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503706
2-(2-chloro-4-phenylphenoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7653192
3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489524
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 46436119) is N-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is NPFWEVOVJCCBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-24-15-8-7-12(20(22)23)9-14(15)18-17(21)16-10-13(19-25-16)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,18,21).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46436119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).