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

C15H17F2N3O — CID 61015748

IUPACcyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNC(c1nc(-c2ccc(F)c(F)c2)no1)C1CCCCC1
InChIInChI=1S/C15H17F2N3O/c16-11-7-6-10(8-12(11)17)14-19-15(21-20-14)13(18)9-4-2-1-3-5-9/h6-9,13H,1-5,18H2
InChIKeyTYUNHWKGKJJIHL-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.59
Rot. Bonds3

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

cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 61015748) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID61015748
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namecyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNC(c1nc(-c2ccc(F)c(F)c2)no1)C1CCCCC1
InChIInChI=1S/C15H17F2N3O/c16-11-7-6-10(8-12(11)17)14-19-15(21-20-14)13(18)9-4-2-1-3-5-9/h6-9,13H,1-5,18H2
InChIKeyTYUNHWKGKJJIHL-UHFFFAOYSA-N
XLogP3.59
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 63092258
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61014151
[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61017069
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61016877
[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 82809079
cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107502083
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
(S)-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832497
cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 54901636
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832498
[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284912
[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 107537138

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 61015748) is cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine is NC(c1nc(-c2ccc(F)c(F)c2)no1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is TYUNHWKGKJJIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c16-11-7-6-10(8-12(11)17)14-19-15(21-20-14)13(18)9-4-2-1-3-5-9/h6-9,13H,1-5,18H2.
What are the key properties of cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 293.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 61015748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).