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

C14H13F3N4O2 — CID 137366430

IUPAC2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide
SMILESO=C(CC1CC1)NCc1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)13-20-12(21-23-13)9-3-4-10(18-6-9)7-19-11(22)5-8-1-2-8/h3-4,6,8H,1-2,5,7H2,(H,19,22)
InChIKeyVIHBPBVEKDWKRR-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.57
Rot. Bonds5

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

2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 137366430) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide
PubChem CID137366430
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide
SMILESO=C(CC1CC1)NCc1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)13-20-12(21-23-13)9-3-4-10(18-6-9)7-19-11(22)5-8-1-2-8/h3-4,6,8H,1-2,5,7H2,(H,19,22)
InChIKeyVIHBPBVEKDWKRR-UHFFFAOYSA-N
XLogP2.57
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide (CID 137366430) is 2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide is O=C(CC1CC1)NCc1ccc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is VIHBPBVEKDWKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)13-20-12(21-23-13)9-3-4-10(18-6-9)7-19-11(22)5-8-1-2-8/h3-4,6,8H,1-2,5,7H2,(H,19,22).
What are the key properties of 2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide?
2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 326.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 137366430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).