3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid

C13H14N2O3 — CID 82026604

IUPAC3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid
SMILESCCc1nnc(C(CC(=O)O)c2ccccc2)o1
InChIInChI=1S/C13H14N2O3/c1-2-11-14-15-13(18-11)10(8-12(16)17)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,16,17)
InChIKeyQYLXYZOQIVRMON-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.24
Rot. Bonds5

About 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid

3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid (PubChem CID 82026604) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid
PubChem CID82026604
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid
SMILESCCc1nnc(C(CC(=O)O)c2ccccc2)o1
InChIInChI=1S/C13H14N2O3/c1-2-11-14-15-13(18-11)10(8-12(16)17)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,16,17)
InChIKeyQYLXYZOQIVRMON-UHFFFAOYSA-N
XLogP2.24
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol
CID 101417641
3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 89112864
N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137199
3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 60907292
N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 110407002
3-[3-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 121225121
N-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415634
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-3-pyridinyl)propanoic acid
CID 123371806
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylbutyl)propanamide
CID 110607473
N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110421688

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid (CID 82026604) is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid is CCc1nnc(C(CC(=O)O)c2ccccc2)o1.
What is the InChIKey of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid?
The InChIKey is QYLXYZOQIVRMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-11-14-15-13(18-11)10(8-12(16)17)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,16,17).
What are the key properties of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid?
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid has a molecular weight of 246.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 82026604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).