2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride

C14H17ClFN3O — CID 120841496

IUPAC2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride
SMILESCl.NCC(c1ccc(F)cc1)c1nc(CC2CC2)no1
InChIInChI=1S/C14H16FN3O.ClH/c15-11-5-3-10(4-6-11)12(8-16)14-17-13(18-19-14)7-9-1-2-9;/h3-6,9,12H,1-2,7-8,16H2;1H
InChIKeyKXUZRGIOGQISKE-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.67
Rot. Bonds5

About 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride

2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride (PubChem CID 120841496) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride
PubChem CID120841496
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC Name2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride
SMILESCl.NCC(c1ccc(F)cc1)c1nc(CC2CC2)no1
InChIInChI=1S/C14H16FN3O.ClH/c15-11-5-3-10(4-6-11)12(8-16)14-17-13(18-19-14)7-9-1-2-9;/h3-6,9,12H,1-2,7-8,16H2;1H
InChIKeyKXUZRGIOGQISKE-UHFFFAOYSA-N
XLogP2.67
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;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 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride (CID 120841496) is 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride is Cl.NCC(c1ccc(F)cc1)c1nc(CC2CC2)no1.
What is the InChIKey of 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is KXUZRGIOGQISKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O.ClH/c15-11-5-3-10(4-6-11)12(8-16)14-17-13(18-19-14)7-9-1-2-9;/h3-6,9,12H,1-2,7-8,16H2;1H.
What are the key properties of 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 297.76 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 120841496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).