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

C17H13F3N4O2 — CID 53162334

IUPAC2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1nnc(-c2ccncc2)o1)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)13-4-2-1-3-12(13)10-22-14(25)9-15-23-24-16(26-15)11-5-7-21-8-6-11/h1-8H,9-10H2,(H,22,25)
InChIKeyXQRXOMHZHYQPFS-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.01
Rot. Bonds5

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

2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 53162334) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID53162334
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1nnc(-c2ccncc2)o1)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)13-4-2-1-3-12(13)10-22-14(25)9-15-23-24-16(26-15)11-5-7-21-8-6-11/h1-8H,9-10H2,(H,22,25)
InChIKeyXQRXOMHZHYQPFS-UHFFFAOYSA-N
XLogP3.01
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884275
(S)-2-(pyridin-4-yl)-5-(pyrrolidin-3-yl)-1,3,4-oxadiazole
CID 51137288
N-benzyl-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 949486
N-(1-methyl-2-pyridin-3-ylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16189878
4-fluoro-N-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide
CID 45784140
2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 73054183
N-(4-fluorobenzyl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 3944232
4-[5-(2-Methylphenyl)-1,3,4-oxadiazol-2-YL]pyridine
CID 800022
2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
CID 5300682
N-[2-(3-methylpyridin-2-yl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16190178
1-[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 38031086
N-(4-Fluorophenyl)-2-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162301

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 53162334) is 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cc1nnc(-c2ccncc2)o1)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is XQRXOMHZHYQPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)13-4-2-1-3-12(13)10-22-14(25)9-15-23-24-16(26-15)11-5-7-21-8-6-11/h1-8H,9-10H2,(H,22,25).
What are the key properties of 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 362.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 53162334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).