3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide

C15H16N4O3S — CID 38944510

IUPAC3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C15H16N4O3S/c1-11-15(12(2)22-17-11)23(20,21)18-14-6-3-5-13(9-14)10-19-8-4-7-16-19/h3-9,18H,10H2,1-2H3
InChIKeyXIWIEJLOORPSMW-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.34
Rot. Bonds5

About 3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide (PubChem CID 38944510) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide
PubChem CID38944510
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C15H16N4O3S/c1-11-15(12(2)22-17-11)23(20,21)18-14-6-3-5-13(9-14)10-19-8-4-7-16-19/h3-9,18H,10H2,1-2H3
InChIKeyXIWIEJLOORPSMW-UHFFFAOYSA-N
XLogP2.34
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4''-Pyrazol-1-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 22103787
(E)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylprop-2-enamide
CID 57422273
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methylsulfonylbenzamide
CID 57422276
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 155528571
2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 57422316
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzenesulfonamide
CID 57944955
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-fluorobenzenesulfonamide
CID 57945004
N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 40663972
5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
CID 2738186
3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide
CID 34125372
3,5-Dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]-1,2-oxazole
CID 53186373
3,5-Dimethyl-4-{[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-A][1,4]diazepin-5(6H)-YL]sulfonyl}isoxazole
CID 53186376

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide (CID 38944510) is 3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is XIWIEJLOORPSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-11-15(12(2)22-17-11)23(20,21)18-14-6-3-5-13(9-14)10-19-8-4-7-16-19/h3-9,18H,10H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 38944510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).