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

C18H24ClN3O3 — CID 120854977

IUPAC1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cccc(OCC4CCCO4)c3)n2)CCCC1
InChIInChI=1S/C18H23N3O3.ClH/c19-18(8-1-2-9-18)17-20-16(24-21-17)13-5-3-6-14(11-13)23-12-15-7-4-10-22-15;/h3,5-6,11,15H,1-2,4,7-10,12,19H2;1H
InChIKeyPOPFHLDKXAXVIE-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.44
Rot. Bonds5

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

1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120854977) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120854977
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cccc(OCC4CCCO4)c3)n2)CCCC1
InChIInChI=1S/C18H23N3O3.ClH/c19-18(8-1-2-9-18)17-20-16(24-21-17)13-5-3-6-14(11-13)23-12-15-7-4-10-22-15;/h3,5-6,11,15H,1-2,4,7-10,12,19H2;1H
InChIKeyPOPFHLDKXAXVIE-UHFFFAOYSA-N
XLogP3.44
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-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

Related Compounds

1-[5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851081
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850426
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 120852858
1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856871
1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864253
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352509
2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 167961300
1-[5-[3-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853378
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853991

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120854977) is 1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3cccc(OCC4CCCO4)c3)n2)CCCC1.
What is the InChIKey of 1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is POPFHLDKXAXVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3.ClH/c19-18(8-1-2-9-18)17-20-16(24-21-17)13-5-3-6-14(11-13)23-12-15-7-4-10-22-15;/h3,5-6,11,15H,1-2,4,7-10,12,19H2;1H.
What are the key properties of 1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 365.86 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120854977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).