2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide

C13H12F3N3O2S — CID 118642163

IUPAC2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide
SMILESCSc1c(C(F)(F)F)ccc(C(=O)Nc2nnc(C)o2)c1C
InChIInChI=1S/C13H12F3N3O2S/c1-6-8(11(20)17-12-19-18-7(2)21-12)4-5-9(10(6)22-3)13(14,15)16/h4-5H,1-3H3,(H,17,19,20)
InChIKeySNPHNTRYFQNULO-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.68
Rot. Bonds3

About 2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide

2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide (PubChem CID 118642163) has the molecular formula C13H12F3N3O2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide
PubChem CID118642163
Molecular FormulaC13H12F3N3O2S
Molecular Weight331.32 g/mol
Exact Mass331.06
IUPAC Name2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide
SMILESCSc1c(C(F)(F)F)ccc(C(=O)Nc2nnc(C)o2)c1C
InChIInChI=1S/C13H12F3N3O2S/c1-6-8(11(20)17-12-19-18-7(2)21-12)4-5-9(10(6)22-3)13(14,15)16/h4-5H,1-3H3,(H,17,19,20)
InChIKeySNPHNTRYFQNULO-UHFFFAOYSA-N
XLogP3.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-6-(trifluoromethyl)phenyl]methanesulfinic acid
CID 138703356
2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 170648000
2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide
CID 166505093
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 115569525
3-fluoro-2-hydrazinyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 105388648
3-methoxysulfanyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118639448
2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107689655
3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 105071356
3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 151659263
1-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinoline-4-carboxamide
CID 106766417
6-carboxy-2-methylsulfanyl-3-(trifluoromethyl)phenolate
CID 150530848
2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
CID 155129694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide (CID 118642163) is 2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide is CSc1c(C(F)(F)F)ccc(C(=O)Nc2nnc(C)o2)c1C.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide?
The InChIKey is SNPHNTRYFQNULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2S/c1-6-8(11(20)17-12-19-18-7(2)21-12)4-5-9(10(6)22-3)13(14,15)16/h4-5H,1-3H3,(H,17,19,20).
What are the key properties of 2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide?
2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide has a molecular weight of 331.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118642163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).