5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide

C21H20N4O3S — CID 2738186

IUPAC5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
SMILESCc1onc(-c2ccccc2)c1CNS(=O)(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C21H20N4O3S/c1-15-20(14-22-25(15)18-11-7-4-8-12-18)29(26,27)23-13-19-16(2)28-24-21(19)17-9-5-3-6-10-17/h3-12,14,23H,13H2,1-2H3
InChIKeyICQNBBHYGSWJML-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.62
Rot. Bonds6

About 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide

5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide (PubChem CID 2738186) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
PubChem CID2738186
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
SMILESCc1onc(-c2ccccc2)c1CNS(=O)(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C21H20N4O3S/c1-15-20(14-22-25(15)18-11-7-4-8-12-18)29(26,27)23-13-19-16(2)28-24-21(19)17-9-5-3-6-10-17/h3-12,14,23H,13H2,1-2H3
InChIKeyICQNBBHYGSWJML-UHFFFAOYSA-N
XLogP3.62
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(4-fluorophenyl)-5-methyl-4-(1-tosyl-1H-pyrazol-3-yl)isoxazole
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5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)-3-phenylisoxazole
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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 155528571
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzenesulfonamide
CID 57944955
5-methyl-3-phenyl-4-(1-tosyl-1H-pyrazol-3-yl)isoxazole
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4-(3-Methyl-5-isoxazolyl)-1-phenyl-3-(4-fluoro-phenyl)pyrazole
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5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 2738162
5-[2-(Benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole
CID 2745623
N-[4-(1,2-Oxazol-5-YL)phenyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 6624888
3-[1-(1-Ethyl-5-methylpyrazol-4-yl)sulfonylazepan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide (CID 2738186) is 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide is Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide?
The InChIKey is ICQNBBHYGSWJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-15-20(14-22-25(15)18-11-7-4-8-12-18)29(26,27)23-13-19-16(2)28-24-21(19)17-9-5-3-6-10-17/h3-12,14,23H,13H2,1-2H3.
What are the key properties of 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide?
5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 2738186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).