1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid

C15H22N2O4 — CID 80683706

IUPAC1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
SMILESCC1(c2noc(CC3(C(=O)O)CCCC3)n2)CCCCO1
InChIInChI=1S/C15H22N2O4/c1-14(6-4-5-9-20-14)12-16-11(21-17-12)10-15(13(18)19)7-2-3-8-15/h2-10H2,1H3,(H,18,19)
InChIKeyURWXNOWIXSQXPR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.67
Rot. Bonds4

About 1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid

1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid (PubChem CID 80683706) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
PubChem CID80683706
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
SMILESCC1(c2noc(CC3(C(=O)O)CCCC3)n2)CCCCO1
InChIInChI=1S/C15H22N2O4/c1-14(6-4-5-9-20-14)12-16-11(21-17-12)10-15(13(18)19)7-2-3-8-15/h2-10H2,1H3,(H,18,19)
InChIKeyURWXNOWIXSQXPR-UHFFFAOYSA-N
XLogP2.67
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic 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 1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid (CID 80683706) is 1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid is CC1(c2noc(CC3(C(=O)O)CCCC3)n2)CCCCO1.
What is the InChIKey of 1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is URWXNOWIXSQXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-14(6-4-5-9-20-14)12-16-11(21-17-12)10-15(13(18)19)7-2-3-8-15/h2-10H2,1H3,(H,18,19).
What are the key properties of 1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 80683706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).