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

C15H15FN4O3S — CID 4866612

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C15H15FN4O3S/c1-10-15(11(2)23-18-10)24(21,22)19-13-7-17-20(9-13)8-12-5-3-4-6-14(12)16/h3-7,9,19H,8H2,1-2H3
InChIKeyHVLVESDFSUKKPX-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.48
Rot. Bonds5

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

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 4866612) has the molecular formula C15H15FN4O3S and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID4866612
Molecular FormulaC15H15FN4O3S
Molecular Weight350.38 g/mol
Exact Mass350.08
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C15H15FN4O3S/c1-10-15(11(2)23-18-10)24(21,22)19-13-7-17-20(9-13)8-12-5-3-4-6-14(12)16/h3-7,9,19H,8H2,1-2H3
InChIKeyHVLVESDFSUKKPX-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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Related Compounds

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
(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
5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220472
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-prop-1-en-2-yl-1,2-oxazole-3-carboxamide
CID 146220506
5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220606
(5-ethylisoxazol-3-yl)-N-{1-[(4-fluorophenyl)methyl]pyrazol-4-yl}carboxamide
CID 15988751
1-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylurea
CID 155516501

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 4866612) is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cnn(Cc2ccccc2F)c1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is HVLVESDFSUKKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3S/c1-10-15(11(2)23-18-10)24(21,22)19-13-7-17-20(9-13)8-12-5-3-4-6-14(12)16/h3-7,9,19H,8H2,1-2H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-[(2-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-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 4866612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).