3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine

C11H13N3O — CID 132603793

IUPAC3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine
SMILES[H]/N=c1\onc(-c2ccccc2)n1CCC
InChIInChI=1S/C11H13N3O/c1-2-8-14-10(13-15-11(14)12)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3/b12-11-
InChIKeyBNJDYAMDXOCVTH-QXMHVHEDSA-N
MW203.25 g/mol
LogP2.03
Rot. Bonds3

About 3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine

3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine (PubChem CID 132603793) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine.

Molecular Properties

Compound Name3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine
PubChem CID132603793
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine
SMILES[H]/N=c1\onc(-c2ccccc2)n1CCC
InChIInChI=1S/C11H13N3O/c1-2-8-14-10(13-15-11(14)12)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3/b12-11-
InChIKeyBNJDYAMDXOCVTH-QXMHVHEDSA-N
XLogP2.03
TPSA54.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine 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

5-phenyl-4-propyl-1,2,4-triazol-3-amine
CID 162403538
3-benzylsulfanyl-5-phenyl-4-propyl-1,2,4-triazole
CID 126096377
4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one
CID 71871872
3-[(4-methylphenyl)methylsulfanyl]-5-phenyl-4-propyl-1,2,4-triazole
CID 126101832
1-(5-phenyl-4-propyl-1,2,4-triazol-3-yl)ethane-1,2-dithiol
CID 88790894
4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one
CID 111127241
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
2-phenyl-5-propan-2-yl-3-propylimidazol-4-amine
CID 62222795
3-phenyl-5-[1-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 51289432
3-[2-(3-chloro-5-phenyl-1,2,4-triazol-4-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421219
4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 47087536
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine?
The IUPAC name of 3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine (CID 132603793) is 3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine.
What is the SMILES notation for 3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine?
The canonical SMILES for 3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine is [H]/N=c1\onc(-c2ccccc2)n1CCC.
What is the InChIKey of 3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine?
The InChIKey is BNJDYAMDXOCVTH-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-8-14-10(13-15-11(14)12)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3/b12-11-.
What are the key properties of 3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine?
3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine has a molecular weight of 203.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine is sourced from PubChem (CID 132603793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).