1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine

C26H32FN3O — CID 68964744

IUPAC1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine
SMILESCc1cccc(-c2noc(CCC3CCC(C(c4ccc(F)cc4)N(C)C)CC3)n2)c1
InChIInChI=1S/C26H32FN3O/c1-18-5-4-6-22(17-18)26-28-24(31-29-26)16-9-19-7-10-20(11-8-19)25(30(2)3)21-12-14-23(27)15-13-21/h4-6,12-15,17,19-20,25H,7-11,16H2,1-3H3
InChIKeyUTLAFKDQXGWJGH-UHFFFAOYSA-N
MW421.56 g/mol
LogP6.23
Rot. Bonds7

About 1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine

1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine (PubChem CID 68964744) has the molecular formula C26H32FN3O and a molecular weight of 421.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine
PubChem CID68964744
Molecular FormulaC26H32FN3O
Molecular Weight421.56 g/mol
Exact Mass421.25
IUPAC Name1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine
SMILESCc1cccc(-c2noc(CCC3CCC(C(c4ccc(F)cc4)N(C)C)CC3)n2)c1
InChIInChI=1S/C26H32FN3O/c1-18-5-4-6-22(17-18)26-28-24(31-29-26)16-9-19-7-10-20(11-8-19)25(30(2)3)21-12-14-23(27)15-13-21/h4-6,12-15,17,19-20,25H,7-11,16H2,1-3H3
InChIKeyUTLAFKDQXGWJGH-UHFFFAOYSA-N
XLogP6.23
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine
CID 68959928
1-[4-[2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 68965005
5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 162262506
1-cyclopropyl-N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63347026
N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine
CID 69175605
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345084
1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 63348646
3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921225
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
1-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 68965783
3-(3-methylphenyl)-5-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
CID 72846499
6-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077316

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine (CID 68964744) is 1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine is Cc1cccc(-c2noc(CCC3CCC(C(c4ccc(F)cc4)N(C)C)CC3)n2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine?
The InChIKey is UTLAFKDQXGWJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O/c1-18-5-4-6-22(17-18)26-28-24(31-29-26)16-9-19-7-10-20(11-8-19)25(30(2)3)21-12-14-23(27)15-13-21/h4-6,12-15,17,19-20,25H,7-11,16H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine?
1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine has a molecular weight of 421.56 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 68964744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).