2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide

C17H16F2N4O2S — CID 3851629

IUPAC2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2ccccc2SC(F)F)cn1
InChIInChI=1S/C17H16F2N4O2S/c1-10-14(11(2)25-22-10)9-23-8-12(7-20-23)21-16(24)13-5-3-4-6-15(13)26-17(18)19/h3-8,17H,9H2,1-2H3,(H,21,24)
InChIKeyAJYJBZFMJQTDJQ-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.10
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide

2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide (PubChem CID 3851629) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
PubChem CID3851629
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2ccccc2SC(F)F)cn1
InChIInChI=1S/C17H16F2N4O2S/c1-10-14(11(2)25-22-10)9-23-8-12(7-20-23)21-16(24)13-5-3-4-6-15(13)26-17(18)19/h3-8,17H,9H2,1-2H3,(H,21,24)
InChIKeyAJYJBZFMJQTDJQ-UHFFFAOYSA-N
XLogP4.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
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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
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 57422275
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-phenylpropanamide
CID 25206165
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-phenylcyclopropanecarboxamide
CID 57422269
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3-phenylbutanamide
CID 57422270
(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

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide (CID 3851629) is 2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide is Cc1noc(C)c1Cn1cc(NC(=O)c2ccccc2SC(F)F)cn1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is AJYJBZFMJQTDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c1-10-14(11(2)25-22-10)9-23-8-12(7-20-23)21-16(24)13-5-3-4-6-15(13)26-17(18)19/h3-8,17H,9H2,1-2H3,(H,21,24).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide?
2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 378.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 3851629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).