3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide

C14H17N3O4S — CID 75459913

IUPAC3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C14H17N3O4S/c1-9-13(10(2)21-17-9)14(18)16-7-11-3-5-12(6-4-11)8-22(15,19)20/h3-6H,7-8H2,1-2H3,(H,16,18)(H2,15,19,20)
InChIKeyNVRSXPWBMSFNIM-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.01
Rot. Bonds5

About 3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 75459913) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID75459913
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C14H17N3O4S/c1-9-13(10(2)21-17-9)14(18)16-7-11-3-5-12(6-4-11)8-22(15,19)20/h3-6H,7-8H2,1-2H3,(H,16,18)(H2,15,19,20)
InChIKeyNVRSXPWBMSFNIM-UHFFFAOYSA-N
XLogP1.01
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-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

N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 119103341
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476
N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46470743
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81312082
5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
CID 32766645
3-tert-butyl-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110409295
3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 75461199
N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760258
3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 25404526
3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 32564082

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (CID 75459913) is 3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of 3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is NVRSXPWBMSFNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9-13(10(2)21-17-9)14(18)16-7-11-3-5-12(6-4-11)8-22(15,19)20/h3-6H,7-8H2,1-2H3,(H,16,18)(H2,15,19,20).
What are the key properties of 3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75459913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).