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

C12H17N3O3 — CID 103552158

IUPAC3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(N3CCCC3)no2)C1
InChIInChI=1S/C12H17N3O3/c16-11(17)9-4-3-8(7-9)10-13-12(14-18-10)15-5-1-2-6-15/h8-9H,1-7H2,(H,16,17)
InChIKeyIPKGCQVAROTRPL-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.64
Rot. Bonds3

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

3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 103552158) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID103552158
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(N3CCCC3)no2)C1
InChIInChI=1S/C12H17N3O3/c16-11(17)9-4-3-8(7-9)10-13-12(14-18-10)15-5-1-2-6-15/h8-9H,1-7H2,(H,16,17)
InChIKeyIPKGCQVAROTRPL-UHFFFAOYSA-N
XLogP1.64
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743714
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 107925281
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552004
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552075
3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552140
cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 155266234
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552070
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 116809369
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552164
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552019
3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552103
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552121

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid (CID 103552158) is 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2nc(N3CCCC3)no2)C1.
What is the InChIKey of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is IPKGCQVAROTRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11(17)9-4-3-8(7-9)10-13-12(14-18-10)15-5-1-2-6-15/h8-9H,1-7H2,(H,16,17).
What are the key properties of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103552158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).