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

C14H15N3O4 — CID 167820065

IUPAC3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide
SMILESCCCN(C(=O)c1cc(C)no1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O4/c1-3-7-16(14(18)13-8-10(2)15-21-13)11-5-4-6-12(9-11)17(19)20/h4-6,8-9H,3,7H2,1-2H3
InChIKeyIQPNISNQOYDBRZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.95
Rot. Bonds5

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

3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide (PubChem CID 167820065) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide
PubChem CID167820065
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide
SMILESCCCN(C(=O)c1cc(C)no1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O4/c1-3-7-16(14(18)13-8-10(2)15-21-13)11-5-4-6-12(9-11)17(19)20/h4-6,8-9H,3,7H2,1-2H3
InChIKeyIQPNISNQOYDBRZ-UHFFFAOYSA-N
XLogP2.95
TPSA89.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
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'}

Analyze 3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide
CID 99840653
5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide
CID 99840640
N-ethyl-N-(3-nitrophenyl)acetamide
CID 3338972
N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
CID 19165535
N-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
N,N-dibutyl-3-nitroaniline;hydrochloride
CID 163332973
2-(N-benzoyl-3-nitroanilino)acetic acid
CID 14484971
4-(3-nitro-N-propylanilino)oxolane-3-carboxylic acid
CID 66253611
N-(2-methyl-4-nitrophenyl)-N-propylacetamide
CID 142884407
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-nitroaniline
CID 60720600
N-ethyl-3-nitro-N-[(Z)-pent-2-en-4-yn-2-yl]aniline
CID 126614867
1-(2-hydroxyethyl)-3-[(3-nitrophenyl)methyl]-1-propylurea
CID 110908555

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide (CID 167820065) is 3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide is CCCN(C(=O)c1cc(C)no1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide?
The InChIKey is IQPNISNQOYDBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-7-16(14(18)13-8-10(2)15-21-13)11-5-4-6-12(9-11)17(19)20/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide?
3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167820065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).