2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid

C12H15F3N2O3 — CID 61392848

IUPAC2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(CC(F)(F)F)no2)CCCC1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)5-8-16-9(20-17-8)6-11(7-10(18)19)3-1-2-4-11/h1-7H2,(H,18,19)
InChIKeyPJRIWKBNDWAUGF-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.75
Rot. Bonds5

About 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid

2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (PubChem CID 61392848) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
PubChem CID61392848
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(CC(F)(F)F)no2)CCCC1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)5-8-16-9(20-17-8)6-11(7-10(18)19)3-1-2-4-11/h1-7H2,(H,18,19)
InChIKeyPJRIWKBNDWAUGF-UHFFFAOYSA-N
XLogP2.75
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (CID 61392848) is 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nc(CC(F)(F)F)no2)CCCC1.
What is the InChIKey of 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The InChIKey is PJRIWKBNDWAUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)5-8-16-9(20-17-8)6-11(7-10(18)19)3-1-2-4-11/h1-7H2,(H,18,19).
What are the key properties of 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid has a molecular weight of 292.26 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61392848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).