2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

C15H13F2N5O4S — CID 121195077

IUPAC2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCn1cc(-c2noc(CNC(=O)c3ccccc3S(=O)(=O)C(F)F)n2)cn1
InChIInChI=1S/C15H13F2N5O4S/c1-22-8-9(6-19-22)13-20-12(26-21-13)7-18-14(23)10-4-2-3-5-11(10)27(24,25)15(16)17/h2-6,8,15H,7H2,1H3,(H,18,23)
InChIKeyRWJOEQSGLPNWAD-UHFFFAOYSA-N
MW397.36 g/mol
LogP1.40
Rot. Bonds6

About 2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 121195077) has the molecular formula C15H13F2N5O4S and a molecular weight of 397.36 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID121195077
Molecular FormulaC15H13F2N5O4S
Molecular Weight397.36 g/mol
Exact Mass397.07
IUPAC Name2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCn1cc(-c2noc(CNC(=O)c3ccccc3S(=O)(=O)C(F)F)n2)cn1
InChIInChI=1S/C15H13F2N5O4S/c1-22-8-9(6-19-22)13-20-12(26-21-13)7-18-14(23)10-4-2-3-5-11(10)27(24,25)15(16)17/h2-6,8,15H,7H2,1H3,(H,18,23)
InChIKeyRWJOEQSGLPNWAD-UHFFFAOYSA-N
XLogP1.40
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 119104940
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 119104925
3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121022135
2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 45497787
5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 121195101
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121022168
2,3-dimethyl-2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65195176
2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6463503
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylsulfanylbenzamide
CID 50874997
2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide
CID 121022149
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 121195077) is 2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is Cn1cc(-c2noc(CNC(=O)c3ccccc3S(=O)(=O)C(F)F)n2)cn1.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is RWJOEQSGLPNWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O4S/c1-22-8-9(6-19-22)13-20-12(26-21-13)7-18-14(23)10-4-2-3-5-11(10)27(24,25)15(16)17/h2-6,8,15H,7H2,1H3,(H,18,23).
What are the key properties of 2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 397.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 121195077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).