2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

C14H23F2N3O2 — CID 104637238

IUPAC2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H23F2N3O2/c1-9(2)20-8-13(3,17)12-18-11(21-19-12)10-4-6-14(15,16)7-5-10/h9-10H,4-8,17H2,1-3H3
InChIKeyWOGDRZIRHQZJIY-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.96
Rot. Bonds5

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

2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (PubChem CID 104637238) has the molecular formula C14H23F2N3O2 and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
PubChem CID104637238
Molecular FormulaC14H23F2N3O2
Molecular Weight303.35 g/mol
Exact Mass303.18
IUPAC Name2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H23F2N3O2/c1-9(2)20-8-13(3,17)12-18-11(21-19-12)10-4-6-14(15,16)7-5-10/h9-10H,4-8,17H2,1-3H3
InChIKeyWOGDRZIRHQZJIY-UHFFFAOYSA-N
XLogP2.96
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 107002985
2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637182
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636584
2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-1-ethoxypropan-2-amine
CID 104636868
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637170
1-methoxy-2-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636466
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine
CID 43559704
2-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 113435718
2-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637345
2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637302
2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637288
1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435692

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (CID 104637238) is 2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is CC(C)OCC(C)(N)c1noc(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The InChIKey is WOGDRZIRHQZJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O2/c1-9(2)20-8-13(3,17)12-18-11(21-19-12)10-4-6-14(15,16)7-5-10/h9-10H,4-8,17H2,1-3H3.
What are the key properties of 2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine has a molecular weight of 303.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 104637238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).