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

C9H14N2O3 — CID 82125910

IUPAC3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCC(C)c1nnc(C(C)CC(=O)O)o1
InChIInChI=1S/C9H14N2O3/c1-5(2)8-10-11-9(14-8)6(3)4-7(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyJNEVRJVBFYQDSS-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.77
Rot. Bonds4

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

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 82125910) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID82125910
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCC(C)c1nnc(C(C)CC(=O)O)o1
InChIInChI=1S/C9H14N2O3/c1-5(2)8-10-11-9(14-8)6(3)4-7(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyJNEVRJVBFYQDSS-UHFFFAOYSA-N
XLogP1.77
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 28284414
CID 28284414
CID 122164304
CID 122164304
CID 28344847
CID 28344847
CID 122164085
CID 122164085
CID 134690749
CID 134690749
CID 28344851
CID 28344851
CID 65715822
CID 65715822
CID 103310510
CID 103310510
CID 58499265
CID 58499265
CID 82125127
CID 82125127
CID 82125128
CID 82125128
CID 82125360
CID 82125360

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid (CID 82125910) is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid is CC(C)c1nnc(C(C)CC(=O)O)o1.
What is the InChIKey of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is JNEVRJVBFYQDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(2)8-10-11-9(14-8)6(3)4-7(12)13/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 82125910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).