3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid

C13H20N2O3 — CID 65400431

IUPAC3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCC(CC(=O)O)Cc1nc(C2CCC(C)C2)no1
InChIInChI=1S/C13H20N2O3/c1-8-3-4-10(5-8)13-14-11(18-15-13)6-9(2)7-12(16)17/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyIUAHZZYWMZXSLV-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.63
Rot. Bonds5

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

3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid (PubChem CID 65400431) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid
PubChem CID65400431
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCC(CC(=O)O)Cc1nc(C2CCC(C)C2)no1
InChIInChI=1S/C13H20N2O3/c1-8-3-4-10(5-8)13-14-11(18-15-13)6-9(2)7-12(16)17/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyIUAHZZYWMZXSLV-UHFFFAOYSA-N
XLogP2.63
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65412841
3-methyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65329891
3-methyl-4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65332440
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanoic acid
CID 65406523
2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525013
3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55201062
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65414274
2-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072757
3-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65402845
N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401429
3-hydroxy-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524192
N-ethyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350316

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The IUPAC name of 3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CID 65400431) is 3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid.
What is the SMILES notation for 3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The canonical SMILES for 3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid is CC(CC(=O)O)Cc1nc(C2CCC(C)C2)no1.
What is the InChIKey of 3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The InChIKey is IUAHZZYWMZXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-3-4-10(5-8)13-14-11(18-15-13)6-9(2)7-12(16)17/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid is sourced from PubChem (CID 65400431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).