3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide

C20H19N3O6S — CID 30932866

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H19N3O6S/c1-13-19(14(2)29-22-13)11-12-20(24)21-15-3-7-17(8-4-15)30(27,28)18-9-5-16(6-10-18)23(25)26/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyAFYFGJMVWAEFIH-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.60
Rot. Bonds7

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide (PubChem CID 30932866) has the molecular formula C20H19N3O6S and a molecular weight of 429.45 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
PubChem CID30932866
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H19N3O6S/c1-13-19(14(2)29-22-13)11-12-20(24)21-15-3-7-17(8-4-15)30(27,28)18-9-5-16(6-10-18)23(25)26/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyAFYFGJMVWAEFIH-UHFFFAOYSA-N
XLogP3.60
TPSA132.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide 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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61221265
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 8615701
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517
3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
CID 29252079
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)propanamide
CID 3748253
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzoic acid
CID 119164210
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-nitrophenyl)methyl]propanamide
CID 87004960
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009413
[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 134093092

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide (CID 30932866) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide is Cc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide?
The InChIKey is AFYFGJMVWAEFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6S/c1-13-19(14(2)29-22-13)11-12-20(24)21-15-3-7-17(8-4-15)30(27,28)18-9-5-16(6-10-18)23(25)26/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide has a molecular weight of 429.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide is sourced from PubChem (CID 30932866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).