3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid

C13H22N2O3 — CID 62934285

IUPAC3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCCC(CC)c1nnc(CC(C)(C)CC(=O)O)o1
InChIInChI=1S/C13H22N2O3/c1-5-9(6-2)12-15-14-10(18-12)7-13(3,4)8-11(16)17/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyIZODIAJENRTEBI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.02
Rot. Bonds7

About 3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid

3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 62934285) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID62934285
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCCC(CC)c1nnc(CC(C)(C)CC(=O)O)o1
InChIInChI=1S/C13H22N2O3/c1-5-9(6-2)12-15-14-10(18-12)7-13(3,4)8-11(16)17/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyIZODIAJENRTEBI-UHFFFAOYSA-N
XLogP3.02
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid (CID 62934285) is 3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid is CCC(CC)c1nnc(CC(C)(C)CC(=O)O)o1.
What is the InChIKey of 3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is IZODIAJENRTEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-9(6-2)12-15-14-10(18-12)7-13(3,4)8-11(16)17/h9H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid has a molecular weight of 254.33 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 62934285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).