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

C13H17F3N2O3 — CID 79953690

IUPAC2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(CCC(F)(F)F)no2)CCCC1
InChIInChI=1S/C13H17F3N2O3/c14-13(15,16)6-3-9-17-10(21-18-9)7-12(8-11(19)20)4-1-2-5-12/h1-8H2,(H,19,20)
InChIKeySZURTPYHWYTASJ-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.14
Rot. Bonds6

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

2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (PubChem CID 79953690) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
PubChem CID79953690
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(CCC(F)(F)F)no2)CCCC1
InChIInChI=1S/C13H17F3N2O3/c14-13(15,16)6-3-9-17-10(21-18-9)7-12(8-11(19)20)4-1-2-5-12/h1-8H2,(H,19,20)
InChIKeySZURTPYHWYTASJ-UHFFFAOYSA-N
XLogP3.14
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (CID 79953690) is 2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nc(CCC(F)(F)F)no2)CCCC1.
What is the InChIKey of 2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The InChIKey is SZURTPYHWYTASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c14-13(15,16)6-3-9-17-10(21-18-9)7-12(8-11(19)20)4-1-2-5-12/h1-8H2,(H,19,20).
What are the key properties of 2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid has a molecular weight of 306.28 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 79953690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).