1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C20H20ClN3O2 — CID 120862308

IUPAC1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(Cc3cccc(OCc4cccc(Cl)c4)c3)n2)CCC1
InChIInChI=1S/C20H20ClN3O2/c21-16-6-1-5-15(10-16)13-25-17-7-2-4-14(11-17)12-18-23-19(24-26-18)20(22)8-3-9-20/h1-2,4-7,10-11H,3,8-9,12-13,22H2
InChIKeyOBWSYFGVPIJMCY-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.23
Rot. Bonds6

About 1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120862308) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120862308
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(Cc3cccc(OCc4cccc(Cl)c4)c3)n2)CCC1
InChIInChI=1S/C20H20ClN3O2/c21-16-6-1-5-15(10-16)13-25-17-7-2-4-14(11-17)12-18-23-19(24-26-18)20(22)8-3-9-20/h1-2,4-7,10-11H,3,8-9,12-13,22H2
InChIKeyOBWSYFGVPIJMCY-UHFFFAOYSA-N
XLogP4.23
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine with MolForge

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Related Compounds

1-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62229473
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858568
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353308
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861786
1-[5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854824
1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857455
1-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860856
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352533
1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852897
1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851047
1-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859393
1-[5-[(3-nitrophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854893

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120862308) is 1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(Cc3cccc(OCc4cccc(Cl)c4)c3)n2)CCC1.
What is the InChIKey of 1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is OBWSYFGVPIJMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-16-6-1-5-15(10-16)13-25-17-7-2-4-14(11-17)12-18-23-19(24-26-18)20(22)8-3-9-20/h1-2,4-7,10-11H,3,8-9,12-13,22H2.
What are the key properties of 1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 369.85 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120862308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).