3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid

C10H16N2O3 — CID 156873263

IUPAC3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCCCc1nnc(C(C(=O)O)C(C)C)o1
InChIInChI=1S/C10H16N2O3/c1-4-5-7-11-12-9(15-7)8(6(2)3)10(13)14/h6,8H,4-5H2,1-3H3,(H,13,14)
InChIKeyFLHUFCWPXXGVKZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.85
Rot. Bonds5

About 3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid

3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 156873263) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID156873263
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCCCc1nnc(C(C(=O)O)C(C)C)o1
InChIInChI=1S/C10H16N2O3/c1-4-5-7-11-12-9(15-7)8(6(2)3)10(13)14/h6,8H,4-5H2,1-3H3,(H,13,14)
InChIKeyFLHUFCWPXXGVKZ-UHFFFAOYSA-N
XLogP1.85
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid (CID 156873263) is 3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid is CCCc1nnc(C(C(=O)O)C(C)C)o1.
What is the InChIKey of 3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is FLHUFCWPXXGVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-5-7-11-12-9(15-7)8(6(2)3)10(13)14/h6,8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid?
3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 156873263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).