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

C18H15N3O4 — CID 741143

IUPAC5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C18H15N3O4/c1-11-8-9-14(21(23)24)10-15(11)19-18(22)16-12(2)25-20-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,22)
InChIKeyXMSMQVHGTZZYAN-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.12
Rot. Bonds4

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

5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 741143) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID741143
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C18H15N3O4/c1-11-8-9-14(21(23)24)10-15(11)19-18(22)16-12(2)25-20-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,22)
InChIKeyXMSMQVHGTZZYAN-UHFFFAOYSA-N
XLogP4.12
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.12
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-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 16445174
3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 1241573
5-amino-3-(4-nitrophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
CID 134132755
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 898330
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 7693891
N-(4-cyanophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8145913
N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 741138
N-(2-carbamoylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 987751
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1010739
N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1015763

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 741143) is 5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of 5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XMSMQVHGTZZYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-11-8-9-14(21(23)24)10-15(11)19-18(22)16-12(2)25-20-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,22).
What are the key properties of 5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-5-nitrophenyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 741143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).