3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

C17H21N3O — CID 106977934

IUPAC3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C3Cc4ccccc43)no2)CCCN1
InChIInChI=1S/C17H21N3O/c1-2-8-17(9-5-10-18-17)16-19-15(20-21-16)14-11-12-6-3-4-7-13(12)14/h3-4,6-7,14,18H,2,5,8-11H2,1H3
InChIKeyVYNCAOMICDSQHB-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.14
Rot. Bonds4

About 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 106977934) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID106977934
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C3Cc4ccccc43)no2)CCCN1
InChIInChI=1S/C17H21N3O/c1-2-8-17(9-5-10-18-17)16-19-15(20-21-16)14-11-12-6-3-4-7-13(12)14/h3-4,6-7,14,18H,2,5,8-11H2,1H3
InChIKeyVYNCAOMICDSQHB-UHFFFAOYSA-N
XLogP3.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-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

3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597587
3-(4-methylphenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977854
3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977926
3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977865
3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977975
3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977880
3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977992
3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64982340
3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83070596
1-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 64981821
3-(1-methoxycyclohexyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978030
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070934

Frequently Asked Questions

What is the IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 106977934) is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCCC1(c2nc(C3Cc4ccccc43)no2)CCCN1.
What is the InChIKey of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is VYNCAOMICDSQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-8-17(9-5-10-18-17)16-19-15(20-21-16)14-11-12-6-3-4-7-13(12)14/h3-4,6-7,14,18H,2,5,8-11H2,1H3.
What are the key properties of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 283.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106977934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).