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

C14H22N2O3 — CID 61069481

IUPAC2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESCC(C)Cc1noc(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C14H22N2O3/c1-10(2)7-11-15-12(19-16-11)8-14(9-13(17)18)5-3-4-6-14/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyHWZYTLYPNRXMFF-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.85
Rot. Bonds6

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

2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (PubChem CID 61069481) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
PubChem CID61069481
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESCC(C)Cc1noc(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C14H22N2O3/c1-10(2)7-11-15-12(19-16-11)8-14(9-13(17)18)5-3-4-6-14/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyHWZYTLYPNRXMFF-UHFFFAOYSA-N
XLogP2.85
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[3-(2-methylpropyl)-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-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (CID 61069481) is 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is CC(C)Cc1noc(CC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The InChIKey is HWZYTLYPNRXMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)7-11-15-12(19-16-11)8-14(9-13(17)18)5-3-4-6-14/h10H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).