N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide

C12H10F3N3O2S — CID 164839640

IUPACN-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(SC(F)(F)F)cc2)o1
InChIInChI=1S/C12H10F3N3O2S/c1-2-9-17-18-11(20-9)16-10(19)7-3-5-8(6-4-7)21-12(13,14)15/h3-6H,2H2,1H3,(H,16,18,19)
InChIKeyBWABNXKFCIKCMP-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.50
Rot. Bonds4

About N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide

N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 164839640) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID164839640
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC NameN-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(SC(F)(F)F)cc2)o1
InChIInChI=1S/C12H10F3N3O2S/c1-2-9-17-18-11(20-9)16-10(19)7-3-5-8(6-4-7)21-12(13,14)15/h3-6H,2H2,1H3,(H,16,18,19)
InChIKeyBWABNXKFCIKCMP-UHFFFAOYSA-N
XLogP3.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide (CID 164839640) is N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide is CCc1nnc(NC(=O)c2ccc(SC(F)(F)F)cc2)o1.
What is the InChIKey of N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is BWABNXKFCIKCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-2-9-17-18-11(20-9)16-10(19)7-3-5-8(6-4-7)21-12(13,14)15/h3-6H,2H2,1H3,(H,16,18,19).
What are the key properties of N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 317.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 164839640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).