N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

C23H24N4O3S — CID 3775374

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCn1nc(C(C)(C)C)cc1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C23H24N4O3S/c1-23(2,3)18-15-19(27(4)25-18)26-31(28,29)22-20(16-11-7-5-8-12-16)30-21(24-22)17-13-9-6-10-14-17/h5-15,26H,1-4H3
InChIKeyAIYMJNWXJHVSAN-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.84
Rot. Bonds5

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (PubChem CID 3775374) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
PubChem CID3775374
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCn1nc(C(C)(C)C)cc1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C23H24N4O3S/c1-23(2,3)18-15-19(27(4)25-18)26-31(28,29)22-20(16-11-7-5-8-12-16)30-21(24-22)17-13-9-6-10-14-17/h5-15,26H,1-4H3
InChIKeyAIYMJNWXJHVSAN-UHFFFAOYSA-N
XLogP4.84
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (CID 3775374) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is Cn1nc(C(C)(C)C)cc1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The InChIKey is AIYMJNWXJHVSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-23(2,3)18-15-19(27(4)25-18)26-31(28,29)22-20(16-11-7-5-8-12-16)30-21(24-22)17-13-9-6-10-14-17/h5-15,26H,1-4H3.
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide has a molecular weight of 436.54 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 3775374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).