1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride

C11H12ClN3O — CID 119947729

IUPAC1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C11H11N3O.ClH/c12-11(6-7-11)10-13-9(14-15-10)8-4-2-1-3-5-8;/h1-5H,6-7,12H2;1H
InChIKeyRRULWONCGKYAQK-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.11
Rot. Bonds2

About 1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride

1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride (PubChem CID 119947729) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
PubChem CID119947729
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C11H11N3O.ClH/c12-11(6-7-11)10-13-9(14-15-10)8-4-2-1-3-5-8;/h1-5H,6-7,12H2;1H
InChIKeyRRULWONCGKYAQK-UHFFFAOYSA-N
XLogP2.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride (CID 119947729) is 1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride is Cl.NC1(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride?
The InChIKey is RRULWONCGKYAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.ClH/c12-11(6-7-11)10-13-9(14-15-10)8-4-2-1-3-5-8;/h1-5H,6-7,12H2;1H.
What are the key properties of 1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride?
1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride has a molecular weight of 237.69 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 119947729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).