N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

C15H10F3N3O2S — CID 57303116

IUPACN-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1cccs1)c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)10-5-3-9(4-6-10)13-20-21-14(23-13)12(22)19-8-11-2-1-7-24-11/h1-7H,8H2,(H,19,22)
InChIKeyTZBMHNMWWADJBF-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.75
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 57303116) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID57303116
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC NameN-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1cccs1)c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)10-5-3-9(4-6-10)13-20-21-14(23-13)12(22)19-8-11-2-1-7-24-11/h1-7H,8H2,(H,19,22)
InChIKeyTZBMHNMWWADJBF-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

Analyze N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 172709806
5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391165
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
ethyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxylate
CID 2815834
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251
5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 57081749
(E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43972310
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95368354
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2110784
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
5-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391457

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide (CID 57303116) is N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1cccs1)c1nnc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is TZBMHNMWWADJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c16-15(17,18)10-5-3-9(4-6-10)13-20-21-14(23-13)12(22)19-8-11-2-1-7-24-11/h1-7H,8H2,(H,19,22).
What are the key properties of N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-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-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 57303116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).