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

C12H18N2O3 — CID 114392630

IUPAC4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc(C(C)C)no2)C1
InChIInChI=1S/C12H18N2O3/c1-6(2)10-13-11(17-14-10)8-4-7(3)5-9(8)12(15)16/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyVJIRQNVGSPVQJK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.41
Rot. Bonds3

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

4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 114392630) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID114392630
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc(C(C)C)no2)C1
InChIInChI=1S/C12H18N2O3/c1-6(2)10-13-11(17-14-10)8-4-7(3)5-9(8)12(15)16/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyVJIRQNVGSPVQJK-UHFFFAOYSA-N
XLogP2.41
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114512904
4-methyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 114392657
2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclopentane-1-carboxylic acid
CID 114392714
4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 136984611
2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 60791232
2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 116808678
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 115345518
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 65330720
5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol
CID 70384584
(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid
CID 114513069
6-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150093

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid (CID 114392630) is 4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(c2nc(C(C)C)no2)C1.
What is the InChIKey of 4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is VJIRQNVGSPVQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-6(2)10-13-11(17-14-10)8-4-7(3)5-9(8)12(15)16/h6-9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid?
4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114392630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).