2-phenyl-5-propyl-1,3,4-oxadiazole

C11H12N2O — CID 14949000

IUPAC2-phenyl-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H12N2O/c1-2-6-10-12-13-11(14-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyJIJYYIPXEQTHJK-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.69
Rot. Bonds3

About 2-phenyl-5-propyl-1,3,4-oxadiazole

2-phenyl-5-propyl-1,3,4-oxadiazole (PubChem CID 14949000) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-phenyl-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-propyl-1,3,4-oxadiazole
PubChem CID14949000
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-phenyl-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H12N2O/c1-2-6-10-12-13-11(14-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyJIJYYIPXEQTHJK-UHFFFAOYSA-N
XLogP2.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-5-propyl-1,3,4-oxadiazole 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-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine
CID 110653712
N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 46249412
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 110653733
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653660

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-propyl-1,3,4-oxadiazole (CID 14949000) is 2-phenyl-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-propyl-1,3,4-oxadiazole is CCCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-phenyl-5-propyl-1,3,4-oxadiazole?
The InChIKey is JIJYYIPXEQTHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-6-10-12-13-11(14-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 2-phenyl-5-propyl-1,3,4-oxadiazole?
2-phenyl-5-propyl-1,3,4-oxadiazole has a molecular weight of 188.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 14949000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).