N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

C20H18N4O3S — CID 25047201

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)n(C)n1
InChIInChI=1S/C20H18N4O3S/c1-14-13-17(24(2)22-14)23-28(25,26)20-18(15-9-5-3-6-10-15)27-19(21-20)16-11-7-4-8-12-16/h3-13,23H,1-2H3
InChIKeyILTNXTMXJJMRJX-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.85
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (PubChem CID 25047201) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
PubChem CID25047201
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)n(C)n1
InChIInChI=1S/C20H18N4O3S/c1-14-13-17(24(2)22-14)23-28(25,26)20-18(15-9-5-3-6-10-15)27-19(21-20)16-11-7-4-8-12-16/h3-13,23H,1-2H3
InChIKeyILTNXTMXJJMRJX-UHFFFAOYSA-N
XLogP3.85
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (CID 25047201) is N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The InChIKey is ILTNXTMXJJMRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-14-13-17(24(2)22-14)23-28(25,26)20-18(15-9-5-3-6-10-15)27-19(21-20)16-11-7-4-8-12-16/h3-13,23H,1-2H3.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 25047201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).