N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H15FN4O3S — CID 5258072

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C15H15FN4O3S/c1-10-15(11(2)23-18-10)24(21,22)19-14-7-17-20(9-14)8-12-4-3-5-13(16)6-12/h3-7,9,19H,8H2,1-2H3
InChIKeyMYOPTHPMXSKVKT-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.48
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 5258072) has the molecular formula C15H15FN4O3S and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID5258072
Molecular FormulaC15H15FN4O3S
Molecular Weight350.38 g/mol
Exact Mass350.08
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C15H15FN4O3S/c1-10-15(11(2)23-18-10)24(21,22)19-14-7-17-20(9-14)8-12-4-3-5-13(16)6-12/h3-7,9,19H,8H2,1-2H3
InChIKeyMYOPTHPMXSKVKT-UHFFFAOYSA-N
XLogP2.48
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 5258072) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MYOPTHPMXSKVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3S/c1-10-15(11(2)23-18-10)24(21,22)19-14-7-17-20(9-14)8-12-4-3-5-13(16)6-12/h3-7,9,19H,8H2,1-2H3.
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 350.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 5258072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).