2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide

C16H15N5O3S — CID 57422316

IUPAC2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1noc(C)c1Cn1cc(NS(=O)(=O)c2ccccc2C#N)cn1
InChIInChI=1S/C16H15N5O3S/c1-11-15(12(2)24-19-11)10-21-9-14(8-18-21)20-25(22,23)16-6-4-3-5-13(16)7-17/h3-6,8-9,20H,10H2,1-2H3
InChIKeyLXMPDBNMEOSEBZ-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.21
Rot. Bonds5

About 2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide

2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 57422316) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
PubChem CID57422316
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1noc(C)c1Cn1cc(NS(=O)(=O)c2ccccc2C#N)cn1
InChIInChI=1S/C16H15N5O3S/c1-11-15(12(2)24-19-11)10-21-9-14(8-18-21)20-25(22,23)16-6-4-3-5-13(16)7-17/h3-6,8-9,20H,10H2,1-2H3
InChIKeyLXMPDBNMEOSEBZ-UHFFFAOYSA-N
XLogP2.21
TPSA113.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide with MolForge

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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
1-(3-Cyanophenyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 57422321
3-cyano-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)benzamide
CID 57944982
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 155528571
1-(2-Cyanophenyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 57422323
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-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methoxybenzenesulfonamide
CID 57945016
3,5-dimethyl-N-{[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl]methyl}-1,2-oxazole-4-sulfonamide
CID 137966671
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(4-fluorobenzyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 19916034

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide (CID 57422316) is 2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide is Cc1noc(C)c1Cn1cc(NS(=O)(=O)c2ccccc2C#N)cn1.
What is the InChIKey of 2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is LXMPDBNMEOSEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-11-15(12(2)24-19-11)10-21-9-14(8-18-21)20-25(22,23)16-6-4-3-5-13(16)7-17/h3-6,8-9,20H,10H2,1-2H3.
What are the key properties of 2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide?
2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide has a molecular weight of 357.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 57422316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).