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

C15H16N4O3S — CID 155528571

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1noc(C)c1Cn1cc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C15H16N4O3S/c1-11-15(12(2)22-17-11)10-19-9-13(8-16-19)18-23(20,21)14-6-4-3-5-7-14/h3-9,18H,10H2,1-2H3
InChIKeyCDHRNFUWMMTYRZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.34
Rot. Bonds5

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

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 155528571) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
PubChem CID155528571
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1noc(C)c1Cn1cc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C15H16N4O3S/c1-11-15(12(2)22-17-11)10-19-9-13(8-16-19)18-23(20,21)14-6-4-3-5-7-14/h3-9,18H,10H2,1-2H3
InChIKeyCDHRNFUWMMTYRZ-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 ≤ 500332.38
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
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
CID 57422420
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 57422275
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3-phenylbutanamide
CID 57422270
(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-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylurea
CID 155516501
2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 57422316
1-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(2-fluorophenyl)thiourea
CID 57422317

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide (CID 155528571) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide is Cc1noc(C)c1Cn1cc(NS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is CDHRNFUWMMTYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-11-15(12(2)22-17-11)10-19-9-13(8-16-19)18-23(20,21)14-6-4-3-5-7-14/h3-9,18H,10H2,1-2H3.
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide has a molecular weight of 332.38 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 N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 155528571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).