3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol

C9H15F2N3O2 — CID 115347282

IUPAC3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESCN(C)CCc1noc(CC(O)C(F)F)n1
InChIInChI=1S/C9H15F2N3O2/c1-14(2)4-3-7-12-8(16-13-7)5-6(15)9(10)11/h6,9,15H,3-5H2,1-2H3
InChIKeyVGCHRMRIQPCATO-UHFFFAOYSA-N
MW235.23 g/mol
LogP0.34
Rot. Bonds6

About 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol

3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (PubChem CID 115347282) has the molecular formula C9H15F2N3O2 and a molecular weight of 235.23 g/mol. Its IUPAC name is 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
PubChem CID115347282
Molecular FormulaC9H15F2N3O2
Molecular Weight235.23 g/mol
Exact Mass235.11
IUPAC Name3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESCN(C)CCc1noc(CC(O)C(F)F)n1
InChIInChI=1S/C9H15F2N3O2/c1-14(2)4-3-7-12-8(16-13-7)5-6(15)9(10)11/h6,9,15H,3-5H2,1-2H3
InChIKeyVGCHRMRIQPCATO-UHFFFAOYSA-N
XLogP0.34
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol
CID 71988953
3-[3-[2-(Diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
CID 55200657
1,1,1-Trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 55201449
4-Methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 55201450
3-[3-[2-(Diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 55203537
1-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 55220293
1,1,1-Trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 55231077
1,1,1-Trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55231272
3-(3-Butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 55231273
1-Amino-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 61393005
1,1,1-Trifluoro-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345000
3-[3-[2-(Diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63345079

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (CID 115347282) is 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is CN(C)CCc1noc(CC(O)C(F)F)n1.
What is the InChIKey of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The InChIKey is VGCHRMRIQPCATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O2/c1-14(2)4-3-7-12-8(16-13-7)5-6(15)9(10)11/h6,9,15H,3-5H2,1-2H3.
What are the key properties of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol has a molecular weight of 235.23 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 115347282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).