1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C16H22ClN3O2 — CID 120853454

IUPAC1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCC(OCc1ccccc1)c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-12(20-11-13-7-3-2-4-8-13)14-18-15(19-21-14)16(17)9-5-6-10-16;/h2-4,7-8,12H,5-6,9-11,17H2,1H3;1H
InChIKeyKTMGQQHRCVXHJL-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.50
Rot. Bonds5

About 1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120853454) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120853454
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCC(OCc1ccccc1)c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-12(20-11-13-7-3-2-4-8-13)14-18-15(19-21-14)16(17)9-5-6-10-16;/h2-4,7-8,12H,5-6,9-11,17H2,1H3;1H
InChIKeyKTMGQQHRCVXHJL-UHFFFAOYSA-N
XLogP3.50
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853877
1-[5-[1-(4-phenylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859641
1-[5-[1-(2-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853344
1-[5-(1-benzylsulfanyl-2-methylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859992
1-[5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854824
1-[5-(1-but-3-enoxyethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858997
1-[5-[1-(3-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854157
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylacetamide
CID 120860986
1-[5-[dimethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855328
1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864326
1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851617
1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863041

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120853454) is 1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CC(OCc1ccccc1)c1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is KTMGQQHRCVXHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-12(20-11-13-7-3-2-4-8-13)14-18-15(19-21-14)16(17)9-5-6-10-16;/h2-4,7-8,12H,5-6,9-11,17H2,1H3;1H.
What are the key properties of 1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120853454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).