4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid

C13H20N2O3 — CID 114512904

IUPAC4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(c2nc(C(C)C)no2)C1
InChIInChI=1S/C13H20N2O3/c1-4-8-5-9(10(6-8)13(16)17)12-14-11(7(2)3)15-18-12/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyHPLYXLPWWYOJTB-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.80
Rot. Bonds4

About 4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid

4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 114512904) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID114512904
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(c2nc(C(C)C)no2)C1
InChIInChI=1S/C13H20N2O3/c1-4-8-5-9(10(6-8)13(16)17)12-14-11(7(2)3)15-18-12/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyHPLYXLPWWYOJTB-UHFFFAOYSA-N
XLogP2.80
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid (CID 114512904) is 4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(c2nc(C(C)C)no2)C1.
What is the InChIKey of 4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is HPLYXLPWWYOJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-8-5-9(10(6-8)13(16)17)12-14-11(7(2)3)15-18-12/h7-10H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114512904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).