1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine

C26H32FN3O2 — CID 68963723

IUPAC1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(Cc2noc(CC3CCC(C(c4cccc(F)c4)N(C)C)CC3)n2)cc1
InChIInChI=1S/C26H32FN3O2/c1-30(2)26(21-5-4-6-22(27)17-21)20-11-7-19(8-12-20)16-25-28-24(29-32-25)15-18-9-13-23(31-3)14-10-18/h4-6,9-10,13-14,17,19-20,26H,7-8,11-12,15-16H2,1-3H3
InChIKeyYZLYQMIJOFBMBG-UHFFFAOYSA-N
MW437.56 g/mol
LogP5.46
Rot. Bonds8

About 1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine

1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine (PubChem CID 68963723) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine
PubChem CID68963723
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(Cc2noc(CC3CCC(C(c4cccc(F)c4)N(C)C)CC3)n2)cc1
InChIInChI=1S/C26H32FN3O2/c1-30(2)26(21-5-4-6-22(27)17-21)20-11-7-19(8-12-20)16-25-28-24(29-32-25)15-18-9-13-23(31-3)14-10-18/h4-6,9-10,13-14,17,19-20,26H,7-8,11-12,15-16H2,1-3H3
InChIKeyYZLYQMIJOFBMBG-UHFFFAOYSA-N
XLogP5.46
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.56
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine (CID 68963723) is 1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine is COc1ccc(Cc2noc(CC3CCC(C(c4cccc(F)c4)N(C)C)CC3)n2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is YZLYQMIJOFBMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-30(2)26(21-5-4-6-22(27)17-21)20-11-7-19(8-12-20)16-25-28-24(29-32-25)15-18-9-13-23(31-3)14-10-18/h4-6,9-10,13-14,17,19-20,26H,7-8,11-12,15-16H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine?
1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 437.56 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 68963723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).