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

C12H18N2O3 — CID 103552004

IUPAC3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESCC(C)Cc1noc(C2CCC(C(=O)O)C2)n1
InChIInChI=1S/C12H18N2O3/c1-7(2)5-10-13-11(17-14-10)8-3-4-9(6-8)12(15)16/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyKTQNMRSFXBSEHU-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.24
Rot. Bonds4

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

3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (PubChem CID 103552004) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
PubChem CID103552004
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESCC(C)Cc1noc(C2CCC(C(=O)O)C2)n1
InChIInChI=1S/C12H18N2O3/c1-7(2)5-10-13-11(17-14-10)8-3-4-9(6-8)12(15)16/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyKTQNMRSFXBSEHU-UHFFFAOYSA-N
XLogP2.24
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552070
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552164
2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979771
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552075
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 164646005
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552034
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 107925281
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
CID 114451055
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 103552158
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 155266234
3-(2-methylpropyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 130747832

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (CID 103552004) is 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is CC(C)Cc1noc(C2CCC(C(=O)O)C2)n1.
What is the InChIKey of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The InChIKey is KTQNMRSFXBSEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)5-10-13-11(17-14-10)8-3-4-9(6-8)12(15)16/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103552004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).