1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C19H26ClN3O3 — CID 120862907

IUPAC1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCOc1cc(/C=C/c2nc(C3(N)CCC3)no2)ccc1OCC(C)C.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-13(2)12-24-15-7-5-14(11-16(15)23-3)6-8-17-21-18(22-25-17)19(20)9-4-10-19;/h5-8,11,13H,4,9-10,12,20H2,1-3H3;1H/b8-6+;
InChIKeyKFLKIJUQIWTAQZ-WVLIHFOGSA-N
MW379.89 g/mol
LogP4.04
Rot. Bonds7

About 1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120862907) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120862907
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCOc1cc(/C=C/c2nc(C3(N)CCC3)no2)ccc1OCC(C)C.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-13(2)12-24-15-7-5-14(11-16(15)23-3)6-8-17-21-18(22-25-17)19(20)9-4-10-19;/h5-8,11,13H,4,9-10,12,20H2,1-3H3;1H/b8-6+;
InChIKeyKFLKIJUQIWTAQZ-WVLIHFOGSA-N
XLogP4.04
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861094
1-[5-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862498
1-[5-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864766
1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861806
1-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853967
1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853913
2-[4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetamide
CID 120860938
1-[5-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851937
1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864314
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861722
1-[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858594
1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853984

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120862907) is 1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is COc1cc(/C=C/c2nc(C3(N)CCC3)no2)ccc1OCC(C)C.Cl.
What is the InChIKey of 1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is KFLKIJUQIWTAQZ-WVLIHFOGSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-13(2)12-24-15-7-5-14(11-16(15)23-3)6-8-17-21-18(22-25-17)19(20)9-4-10-19;/h5-8,11,13H,4,9-10,12,20H2,1-3H3;1H/b8-6+;.
What are the key properties of 1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120862907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).