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

C11H18N2O3 — CID 58499265

IUPAC4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
SMILESCC(C)c1nnc(C(CC(=O)O)C(C)C)o1
InChIInChI=1S/C11H18N2O3/c1-6(2)8(5-9(14)15)11-13-12-10(16-11)7(3)4/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyLJQGCBQXYZYKJU-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.41
Rot. Bonds5

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

4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid (PubChem CID 58499265) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
PubChem CID58499265
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
SMILESCC(C)c1nnc(C(CC(=O)O)C(C)C)o1
InChIInChI=1S/C11H18N2O3/c1-6(2)8(5-9(14)15)11-13-12-10(16-11)7(3)4/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyLJQGCBQXYZYKJU-UHFFFAOYSA-N
XLogP2.41
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The IUPAC name of 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid (CID 58499265) is 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The canonical SMILES for 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid is CC(C)c1nnc(C(CC(=O)O)C(C)C)o1.
What is the InChIKey of 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The InChIKey is LJQGCBQXYZYKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-6(2)8(5-9(14)15)11-13-12-10(16-11)7(3)4/h6-8H,5H2,1-4H3,(H,14,15).
What are the key properties of 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid?
4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid has a molecular weight of 226.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid is sourced from PubChem (CID 58499265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).