N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

C15H10F3N3O2S — CID 2809467

IUPACN-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccs1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)10-5-3-9(4-6-10)13-20-12(23-21-13)8-19-14(22)11-2-1-7-24-11/h1-7H,8H2,(H,19,22)
InChIKeyOOSNQILOVHGOOI-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.75
Rot. Bonds4

About N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 2809467) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID2809467
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC NameN-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccs1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)10-5-3-9(4-6-10)13-20-12(23-21-13)8-19-14(22)11-2-1-7-24-11/h1-7H,8H2,(H,19,22)
InChIKeyOOSNQILOVHGOOI-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (CID 2809467) is N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is O=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccs1.
What is the InChIKey of N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is OOSNQILOVHGOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c16-15(17,18)10-5-3-9(4-6-10)13-20-12(23-21-13)8-19-14(22)11-2-1-7-24-11/h1-7H,8H2,(H,19,22).
What are the key properties of N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 2809467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).