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

C14H15N3O4 — CID 29201390

IUPAC3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O4/c1-4-11-13(9(3)21-16-11)14(18)15-10-6-5-8(2)12(7-10)17(19)20/h5-7H,4H2,1-3H3,(H,15,18)
InChIKeyXJFRNWILWUWCLP-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.01
Rot. Bonds4

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

3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide (PubChem CID 29201390) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide
PubChem CID29201390
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O4/c1-4-11-13(9(3)21-16-11)14(18)15-10-6-5-8(2)12(7-10)17(19)20/h5-7H,4H2,1-3H3,(H,15,18)
InChIKeyXJFRNWILWUWCLP-UHFFFAOYSA-N
XLogP3.01
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.01
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

3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9479423
3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9158633
3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 9183600
2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 104916506
2-[5-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339195
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 26285878
3-ethyl-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-1,2-oxazole-4-carboxamide
CID 112691333
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478
N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567323

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide (CID 29201390) is 3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is XJFRNWILWUWCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-4-11-13(9(3)21-16-11)14(18)15-10-6-5-8(2)12(7-10)17(19)20/h5-7H,4H2,1-3H3,(H,15,18).
What are the key properties of 3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 29201390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).