[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride

C16H22ClN3O — CID 119947677

IUPAC[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride
SMILESCl.NCC1(c2nc(CCc3ccccc3)no2)CCCC1
InChIInChI=1S/C16H21N3O.ClH/c17-12-16(10-4-5-11-16)15-18-14(19-20-15)9-8-13-6-2-1-3-7-13;/h1-3,6-7H,4-5,8-12,17H2;1H
InChIKeyTTZJJOXPXXEBIB-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.05
Rot. Bonds5

About [1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride

[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride (PubChem CID 119947677) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is [1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride
PubChem CID119947677
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride
SMILESCl.NCC1(c2nc(CCc3ccccc3)no2)CCCC1
InChIInChI=1S/C16H21N3O.ClH/c17-12-16(10-4-5-11-16)15-18-14(19-20-15)9-8-13-6-2-1-3-7-13;/h1-3,6-7H,4-5,8-12,17H2;1H
InChIKeyTTZJJOXPXXEBIB-UHFFFAOYSA-N
XLogP3.05
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride?
The IUPAC name of [1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride (CID 119947677) is [1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride.
What is the SMILES notation for [1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride?
The canonical SMILES for [1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride is Cl.NCC1(c2nc(CCc3ccccc3)no2)CCCC1.
What is the InChIKey of [1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride?
The InChIKey is TTZJJOXPXXEBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.ClH/c17-12-16(10-4-5-11-16)15-18-14(19-20-15)9-8-13-6-2-1-3-7-13;/h1-3,6-7H,4-5,8-12,17H2;1H.
What are the key properties of [1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride?
[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride is sourced from PubChem (CID 119947677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).