2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid

C13H20N2O3 — CID 64982392

IUPAC2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(Cc1nc(C2CCC2)no1)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-8(2)13(3,12(16)17)7-10-14-11(15-18-10)9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeySVFQRIPEZQVWKC-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.63
Rot. Bonds5

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

2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid (PubChem CID 64982392) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
PubChem CID64982392
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(Cc1nc(C2CCC2)no1)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-8(2)13(3,12(16)17)7-10-14-11(15-18-10)9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeySVFQRIPEZQVWKC-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid (CID 64982392) is 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid is CC(C)C(C)(Cc1nc(C2CCC2)no1)C(=O)O.
What is the InChIKey of 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid?
The InChIKey is SVFQRIPEZQVWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)13(3,12(16)17)7-10-14-11(15-18-10)9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid?
2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic 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 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 64982392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).