N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide

C14H8F3N3O3S — CID 164839591

IUPACN-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)c1sccc1OC(F)(F)F
InChIInChI=1S/C14H8F3N3O3S/c15-14(16,17)23-9-6-7-24-10(9)11(21)18-13-20-19-12(22-13)8-4-2-1-3-5-8/h1-7H,(H,18,20,21)
InChIKeyOAIDDVXLPJGFKS-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.95
Rot. Bonds4

About N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide

N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide (PubChem CID 164839591) has the molecular formula C14H8F3N3O3S and a molecular weight of 355.30 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide
PubChem CID164839591
Molecular FormulaC14H8F3N3O3S
Molecular Weight355.30 g/mol
Exact Mass355.02
IUPAC NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)c1sccc1OC(F)(F)F
InChIInChI=1S/C14H8F3N3O3S/c15-14(16,17)23-9-6-7-24-10(9)11(21)18-13-20-19-12(22-13)8-4-2-1-3-5-8/h1-7H,(H,18,20,21)
InChIKeyOAIDDVXLPJGFKS-UHFFFAOYSA-N
XLogP3.95
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide?
The IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide (CID 164839591) is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide?
The canonical SMILES for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide is O=C(Nc1nnc(-c2ccccc2)o1)c1sccc1OC(F)(F)F.
What is the InChIKey of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide?
The InChIKey is OAIDDVXLPJGFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O3S/c15-14(16,17)23-9-6-7-24-10(9)11(21)18-13-20-19-12(22-13)8-4-2-1-3-5-8/h1-7H,(H,18,20,21).
What are the key properties of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide?
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide has a molecular weight of 355.30 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 164839591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).