3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate

C11H9N2O3- — CID 7130632

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
SMILESO=C([O-])CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-13-11(16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)/p-1
InChIKeyCUYMDSTYUZAYFH-UHFFFAOYSA-M
MW217.20 g/mol
LogP0.42
Rot. Bonds4

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate

3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate (PubChem CID 7130632) has the molecular formula C11H9N2O3- and a molecular weight of 217.20 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
PubChem CID7130632
Molecular FormulaC11H9N2O3-
Molecular Weight217.20 g/mol
Exact Mass217.06
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
SMILESO=C([O-])CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-13-11(16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)/p-1
InChIKeyCUYMDSTYUZAYFH-UHFFFAOYSA-M
XLogP0.42
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 29368415
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate (CID 7130632) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate is O=C([O-])CCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate?
The InChIKey is CUYMDSTYUZAYFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-13-11(16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)/p-1.
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate has a molecular weight of 217.20 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate is sourced from PubChem (CID 7130632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).