1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C12H18F3N3O2 — CID 116741808

IUPAC1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCOC1(c2noc(C(C)(N)C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C12H18F3N3O2/c1-10(16,12(13,14)15)9-17-8(18-20-9)11(19-2)6-4-3-5-7-11/h3-7,16H2,1-2H3
InChIKeyPGDXVNMGBXFNCJ-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.61
Rot. Bonds3

About 1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 116741808) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID116741808
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCOC1(c2noc(C(C)(N)C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C12H18F3N3O2/c1-10(16,12(13,14)15)9-17-8(18-20-9)11(19-2)6-4-3-5-7-11/h3-7,16H2,1-2H3
InChIKeyPGDXVNMGBXFNCJ-UHFFFAOYSA-N
XLogP2.61
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine with MolForge

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Related Compounds

2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116741779
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899668
ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 104693284
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116743143
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 116743167
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742504
1-cyclopropyl-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116741417
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 116743159
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116743243
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116743201

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 116741808) is 1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is COC1(c2noc(C(C)(N)C(F)(F)F)n2)CCCCC1.
What is the InChIKey of 1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is PGDXVNMGBXFNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-10(16,12(13,14)15)9-17-8(18-20-9)11(19-2)6-4-3-5-7-11/h3-7,16H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 293.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 116741808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).