(1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine

C12H19F2N3O — CID 114215275

IUPAC(1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1nc(C2CCC(F)(F)C2)no1
InChIInChI=1S/C12H19F2N3O/c1-11(2,3)8(15)10-16-9(17-18-10)7-4-5-12(13,14)6-7/h7-8H,4-6,15H2,1-3H3/t7?,8-/m0/s1
InChIKeyQGDLYGHITFZSND-MQWKRIRWSA-N
MW259.30 g/mol
LogP3.02
Rot. Bonds2

About (1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine

(1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (PubChem CID 114215275) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is (1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
PubChem CID114215275
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name(1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1nc(C2CCC(F)(F)C2)no1
InChIInChI=1S/C12H19F2N3O/c1-11(2,3)8(15)10-16-9(17-18-10)7-4-5-12(13,14)6-7/h7-8H,4-6,15H2,1-3H3/t7?,8-/m0/s1
InChIKeyQGDLYGHITFZSND-MQWKRIRWSA-N
XLogP3.02
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine with MolForge

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Related Compounds

(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432
(1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114215243
(1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114215111
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899801
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65415298
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
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 114216662
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
3-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 114215234
1-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 79971098

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (CID 114215275) is (1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)c1nc(C2CCC(F)(F)C2)no1.
What is the InChIKey of (1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is QGDLYGHITFZSND-MQWKRIRWSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-11(2,3)8(15)10-16-9(17-18-10)7-4-5-12(13,14)6-7/h7-8H,4-6,15H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of (1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
(1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 259.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 114215275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).