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

C11H16N2O3 — CID 61069667

IUPAC2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
SMILESCc1noc(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C11H16N2O3/c1-8-12-9(16-13-8)6-11(7-10(14)15)4-2-3-5-11/h2-7H2,1H3,(H,14,15)
InChIKeyXFJGUVCHYOBNRE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.96
Rot. Bonds4

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

2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid (PubChem CID 61069667) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
PubChem CID61069667
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
SMILESCc1noc(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C11H16N2O3/c1-8-12-9(16-13-8)6-11(7-10(14)15)4-2-3-5-11/h2-7H2,1H3,(H,14,15)
InChIKeyXFJGUVCHYOBNRE-UHFFFAOYSA-N
XLogP1.96
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid (CID 61069667) is 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid is Cc1noc(CC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is XFJGUVCHYOBNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-12-9(16-13-8)6-11(7-10(14)15)4-2-3-5-11/h2-7H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 224.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).