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

C18H19N3O4S — CID 71889441

IUPACN-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)C2CC(c3ccccc3)=NO2)c1
InChIInChI=1S/C18H19N3O4S/c1-19-26(23,24)15-9-5-6-13(10-15)12-20-18(22)17-11-16(21-25-17)14-7-3-2-4-8-14/h2-10,17,19H,11-12H2,1H3,(H,20,22)
InChIKeyMBCQQIHZXYLLFZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.40
Rot. Bonds6

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

N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 71889441) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID71889441
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)C2CC(c3ccccc3)=NO2)c1
InChIInChI=1S/C18H19N3O4S/c1-19-26(23,24)15-9-5-6-13(10-15)12-20-18(22)17-11-16(21-25-17)14-7-3-2-4-8-14/h2-10,17,19H,11-12H2,1H3,(H,20,22)
InChIKeyMBCQQIHZXYLLFZ-UHFFFAOYSA-N
XLogP1.40
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-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

(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
(5S)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216143
(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216146
N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071810
(2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 34687941
N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42816802
2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81369512
3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55644791
(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638542
3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2974001
(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95322598
N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 78957069

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 71889441) is N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)C2CC(c3ccccc3)=NO2)c1.
What is the InChIKey of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MBCQQIHZXYLLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-19-26(23,24)15-9-5-6-13(10-15)12-20-18(22)17-11-16(21-25-17)14-7-3-2-4-8-14/h2-10,17,19H,11-12H2,1H3,(H,20,22).
What are the key properties of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71889441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).