3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol

C11H18F2N2O3 — CID 116732876

IUPAC3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESCCOC(c1noc(CC(O)C(F)F)n1)C(C)C
InChIInChI=1S/C11H18F2N2O3/c1-4-17-9(6(2)3)11-14-8(18-15-11)5-7(16)10(12)13/h6-7,9-10,16H,4-5H2,1-3H3
InChIKeyKORMOFGHFHOGFC-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.97
Rot. Bonds7

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

3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (PubChem CID 116732876) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
PubChem CID116732876
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESCCOC(c1noc(CC(O)C(F)F)n1)C(C)C
InChIInChI=1S/C11H18F2N2O3/c1-4-17-9(6(2)3)11-14-8(18-15-11)5-7(16)10(12)13/h6-7,9-10,16H,4-5H2,1-3H3
InChIKeyKORMOFGHFHOGFC-UHFFFAOYSA-N
XLogP1.97
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol with MolForge

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Related Compounds

5-(Oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
CID 75420782
5-Cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole
CID 58044425
3-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 58044668
3-(1,1-Difluoropropoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 68081409
3-(1,1-Difluoroethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 68641633
5-Cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole;ethane
CID 144307172
3-(1,1-Difluoroethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole;ethane
CID 144307211
4-Methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 55201450
1,1,1-Trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 55202791
1-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 55220293
1,1,1-Trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55230885
1,1,1-Trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 55231077

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (CID 116732876) is 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is CCOC(c1noc(CC(O)C(F)F)n1)C(C)C.
What is the InChIKey of 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The InChIKey is KORMOFGHFHOGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-4-17-9(6(2)3)11-14-8(18-15-11)5-7(16)10(12)13/h6-7,9-10,16H,4-5H2,1-3H3.
What are the key properties of 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol has a molecular weight of 264.27 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 116732876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).