N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide

C17H19FN4O3S — CID 126791423

IUPACN-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(Cc1cc(-c2cnn(C)c2)no1)c1ccccc1F
InChIInChI=1S/C17H19FN4O3S/c1-12(2)26(23,24)22(17-7-5-4-6-15(17)18)11-14-8-16(20-25-14)13-9-19-21(3)10-13/h4-10,12H,11H2,1-3H3
InChIKeyKVWYGLSGRGKZEP-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.96
Rot. Bonds6

About N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide

N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide (PubChem CID 126791423) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide
PubChem CID126791423
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC NameN-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(Cc1cc(-c2cnn(C)c2)no1)c1ccccc1F
InChIInChI=1S/C17H19FN4O3S/c1-12(2)26(23,24)22(17-7-5-4-6-15(17)18)11-14-8-16(20-25-14)13-9-19-21(3)10-13/h4-10,12H,11H2,1-3H3
InChIKeyKVWYGLSGRGKZEP-UHFFFAOYSA-N
XLogP2.96
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide 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-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-fluorobenzenesulfonamide
CID 57945004
(3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazol-5-yl)methanamine
CID 45602050
N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline
CID 126779130
4-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,5-dihydro-2H-1lambda6,4-benzothiazepine 1,1-dioxide
CID 126780317
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(4-fluorobenzyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 19916034
N-[1-(2-fluorobenzyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 4866612
N-[1-(3-fluorobenzyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5258072
1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 36935980
3-(4-Fluorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]-1,2-oxazole
CID 46954879
5-[1-[(1-Ethylpyrazol-4-yl)methyl]azepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole
CID 46954882
5-[1-[(1,3-Dimethylpyrazol-4-yl)methyl]azepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole
CID 46954885
5-[1-[(1-Ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole
CID 46954890

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide (CID 126791423) is N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N(Cc1cc(-c2cnn(C)c2)no1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide?
The InChIKey is KVWYGLSGRGKZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-12(2)26(23,24)22(17-7-5-4-6-15(17)18)11-14-8-16(20-25-14)13-9-19-21(3)10-13/h4-10,12H,11H2,1-3H3.
What are the key properties of N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide?
N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide has a molecular weight of 378.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 126791423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).