N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide

C12H6F3N3O3S — CID 155235656

IUPACN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C12H6F3N3O3S/c13-12(14,15)8-4-3-6(20-8)9(19)16-11-18-17-10(21-11)7-2-1-5-22-7/h1-5H,(H,16,18,19)
InChIKeyXISSIGQDIBDDEA-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.66
Rot. Bonds3

About N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide

N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide (PubChem CID 155235656) has the molecular formula C12H6F3N3O3S and a molecular weight of 329.26 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide
PubChem CID155235656
Molecular FormulaC12H6F3N3O3S
Molecular Weight329.26 g/mol
Exact Mass329.01
IUPAC NameN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C12H6F3N3O3S/c13-12(14,15)8-4-3-6(20-8)9(19)16-11-18-17-10(21-11)7-2-1-5-22-7/h1-5H,(H,16,18,19)
InChIKeyXISSIGQDIBDDEA-UHFFFAOYSA-N
XLogP3.66
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide (CID 155235656) is N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide is O=C(Nc1nnc(-c2cccs2)o1)c1ccc(C(F)(F)F)o1.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide?
The InChIKey is XISSIGQDIBDDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O3S/c13-12(14,15)8-4-3-6(20-8)9(19)16-11-18-17-10(21-11)7-2-1-5-22-7/h1-5H,(H,16,18,19).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide?
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide has a molecular weight of 329.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide is sourced from PubChem (CID 155235656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).