[1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine

C16H19F2N3O — CID 120838338

IUPAC[1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2nc(-c3ccc(F)c(F)c3)no2)CCCCC1
InChIInChI=1S/C16H19F2N3O/c17-12-5-4-11(8-13(12)18)15-20-14(22-21-15)9-16(10-19)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9-10,19H2
InChIKeyXEXBUXBJGKCQIQ-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.47
Rot. Bonds4

About [1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine

[1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine (PubChem CID 120838338) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is [1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
PubChem CID120838338
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name[1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2nc(-c3ccc(F)c(F)c3)no2)CCCCC1
InChIInChI=1S/C16H19F2N3O/c17-12-5-4-11(8-13(12)18)15-20-14(22-21-15)9-16(10-19)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9-10,19H2
InChIKeyXEXBUXBJGKCQIQ-UHFFFAOYSA-N
XLogP3.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81161823
1-[[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 82788176
[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride
CID 120836940
[1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162099
1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61289520
[1-[[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 120840626
[1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 107280261
1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64671450
5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine
CID 65417050
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671445
5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 43658624
2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 6623561

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine (CID 120838338) is [1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine is NCC1(Cc2nc(-c3ccc(F)c(F)c3)no2)CCCCC1.
What is the InChIKey of [1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine?
The InChIKey is XEXBUXBJGKCQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c17-12-5-4-11(8-13(12)18)15-20-14(22-21-15)9-16(10-19)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9-10,19H2.
What are the key properties of [1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine?
[1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine has a molecular weight of 307.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 120838338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).