3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid

C16H20N2O3 — CID 60907292

IUPAC3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCCC(C)C(c1ccccc1)c1nnc(CCC(=O)O)o1
InChIInChI=1S/C16H20N2O3/c1-3-11(2)15(12-7-5-4-6-8-12)16-18-17-13(21-16)9-10-14(19)20/h4-8,11,15H,3,9-10H2,1-2H3,(H,19,20)
InChIKeyGYJXHOLCAIJEJB-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.26
Rot. Bonds7

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

3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 60907292) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID60907292
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCCC(C)C(c1ccccc1)c1nnc(CCC(=O)O)o1
InChIInChI=1S/C16H20N2O3/c1-3-11(2)15(12-7-5-4-6-8-12)16-18-17-13(21-16)9-10-14(19)20/h4-8,11,15H,3,9-10H2,1-2H3,(H,19,20)
InChIKeyGYJXHOLCAIJEJB-UHFFFAOYSA-N
XLogP3.26
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic 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

2-[[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 43148602
ethyl 5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazole-2-carboxylate
CID 115960780
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid
CID 82026604
3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 39362077
N-benzyl-N-(2-hydroxyethyl)-3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 45247454
N-benzyl-N-(2-hydroxyethyl)-3-[5-[(R)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 26396186
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol
CID 101417641
3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 60908048
[5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660428
3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 94692581
3-[5-[(R)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 25306442

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid (CID 60907292) is 3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid is CCC(C)C(c1ccccc1)c1nnc(CCC(=O)O)o1.
What is the InChIKey of 3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is GYJXHOLCAIJEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-11(2)15(12-7-5-4-6-8-12)16-18-17-13(21-16)9-10-14(19)20/h4-8,11,15H,3,9-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid has a molecular weight of 288.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 60907292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).