(1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C11H17F2N3O2 — CID 114215111

IUPAC(1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nc(C2CCCC(F)(F)C2)no1
InChIInChI=1S/C11H17F2N3O2/c1-6(17)8(14)10-15-9(16-18-10)7-3-2-4-11(12,13)5-7/h6-8,17H,2-5,14H2,1H3/t6-,7?,8+/m1/s1
InChIKeyCDTVZPPXDSOZQQ-QUFPSDLASA-N
MW261.27 g/mol
LogP1.74
Rot. Bonds3

About (1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

(1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 114215111) has the molecular formula C11H17F2N3O2 and a molecular weight of 261.27 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID114215111
Molecular FormulaC11H17F2N3O2
Molecular Weight261.27 g/mol
Exact Mass261.13
IUPAC Name(1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nc(C2CCCC(F)(F)C2)no1
InChIInChI=1S/C11H17F2N3O2/c1-6(17)8(14)10-15-9(16-18-10)7-3-2-4-11(12,13)5-7/h6-8,17H,2-5,14H2,1H3/t6-,7?,8+/m1/s1
InChIKeyCDTVZPPXDSOZQQ-QUFPSDLASA-N
XLogP1.74
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol with MolForge

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Related Compounds

(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
(1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 114215275
(1S,2R)-1-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965498
(1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114215243
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 114216646
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 65390357
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900158
(1S,2S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900157
3-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 114215288
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65392070

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 114215111) is (1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is C[C@@H](O)[C@H](N)c1nc(C2CCCC(F)(F)C2)no1.
What is the InChIKey of (1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is CDTVZPPXDSOZQQ-QUFPSDLASA-N. The full InChI is InChI=1S/C11H17F2N3O2/c1-6(17)8(14)10-15-9(16-18-10)7-3-2-4-11(12,13)5-7/h6-8,17H,2-5,14H2,1H3/t6-,7?,8+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
(1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 261.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 114215111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).