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

C10H15F2N3O2 — CID 114215243

IUPAC(1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNCC[C@H](O)c1nc(C2CCC(F)(F)C2)no1
InChIInChI=1S/C10H15F2N3O2/c11-10(12)3-1-6(5-10)8-14-9(17-15-8)7(16)2-4-13/h6-7,16H,1-5,13H2/t6?,7-/m0/s1
InChIKeyHMQTZDYHTBZDBZ-MLWJPKLSSA-N
MW247.24 g/mol
LogP1.35
Rot. Bonds4

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

(1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 114215243) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is (1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID114215243
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC Name(1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNCC[C@H](O)c1nc(C2CCC(F)(F)C2)no1
InChIInChI=1S/C10H15F2N3O2/c11-10(12)3-1-6(5-10)8-14-9(17-15-8)7(16)2-4-13/h6-7,16H,1-5,13H2/t6?,7-/m0/s1
InChIKeyHMQTZDYHTBZDBZ-MLWJPKLSSA-N
XLogP1.35
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1S)-3-amino-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836745
(1S)-3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837001
(1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 114215275
3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837002
3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837020
(1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114215111
4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 114216662
(1S)-3-amino-1-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837212
(1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107837041
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65392070
3-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 114215234
N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 114215246

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of (1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 114215243) is (1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is NCC[C@H](O)c1nc(C2CCC(F)(F)C2)no1.
What is the InChIKey of (1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is HMQTZDYHTBZDBZ-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c11-10(12)3-1-6(5-10)8-14-9(17-15-8)7(16)2-4-13/h6-7,16H,1-5,13H2/t6?,7-/m0/s1.
What are the key properties of (1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
(1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 247.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 114215243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).