1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C18H24ClN3O3 — CID 120855647

IUPAC1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESC=CCc1ccc(OCc2nc(C3(N)CCCC3)no2)c(OC)c1.Cl
InChIInChI=1S/C18H23N3O3.ClH/c1-3-6-13-7-8-14(15(11-13)22-2)23-12-16-20-17(21-24-16)18(19)9-4-5-10-18;/h3,7-8,11H,1,4-6,9-10,12,19H2,2H3;1H
InChIKeyBLJFSXFRRRWNDZ-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.54
Rot. Bonds7

About 1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120855647) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120855647
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESC=CCc1ccc(OCc2nc(C3(N)CCCC3)no2)c(OC)c1.Cl
InChIInChI=1S/C18H23N3O3.ClH/c1-3-6-13-7-8-14(15(11-13)22-2)23-12-16-20-17(21-24-16)18(19)9-4-5-10-18;/h3,7-8,11H,1,4-6,9-10,12,19H2,2H3;1H
InChIKeyBLJFSXFRRRWNDZ-UHFFFAOYSA-N
XLogP3.54
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853984
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazole
CID 78817377
3-(2,4-dimethoxyphenyl)-5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazole
CID 9355323
1-[5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858621
1-[5-[2-(3-chloro-4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851225
1-[5-(prop-2-enoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857122
1-[5-[2-(3,4-dimethoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851751
1-[5-[(3-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851731
1-[5-[(2-methoxy-5-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860451
1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851047
5-(4-methoxyphenyl)-3-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazole
CID 78878564
1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857455

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120855647) is 1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is C=CCc1ccc(OCc2nc(C3(N)CCCC3)no2)c(OC)c1.Cl.
What is the InChIKey of 1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is BLJFSXFRRRWNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3.ClH/c1-3-6-13-7-8-14(15(11-13)22-2)23-12-16-20-17(21-24-16)18(19)9-4-5-10-18;/h3,7-8,11H,1,4-6,9-10,12,19H2,2H3;1H.
What are the key properties of 1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 365.86 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120855647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).