1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C11H16F2N2O4 — CID 116780737

IUPAC1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCOC1(c2noc(CC(O)C(F)F)n2)CCOCC1
InChIInChI=1S/C11H16F2N2O4/c1-17-11(2-4-18-5-3-11)10-14-8(19-15-10)6-7(16)9(12)13/h7,9,16H,2-6H2,1H3
InChIKeyLUDXGRDEBGCOSN-UHFFFAOYSA-N
MW278.25 g/mol
LogP0.89
Rot. Bonds5

About 1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 116780737) has the molecular formula C11H16F2N2O4 and a molecular weight of 278.25 g/mol. Its IUPAC name is 1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID116780737
Molecular FormulaC11H16F2N2O4
Molecular Weight278.25 g/mol
Exact Mass278.11
IUPAC Name1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCOC1(c2noc(CC(O)C(F)F)n2)CCOCC1
InChIInChI=1S/C11H16F2N2O4/c1-17-11(2-4-18-5-3-11)10-14-8(19-15-10)6-7(16)9(12)13/h7,9,16H,2-6H2,1H3
InChIKeyLUDXGRDEBGCOSN-UHFFFAOYSA-N
XLogP0.89
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 116780737) is 1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol is COC1(c2noc(CC(O)C(F)F)n2)CCOCC1.
What is the InChIKey of 1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is LUDXGRDEBGCOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O4/c1-17-11(2-4-18-5-3-11)10-14-8(19-15-10)6-7(16)9(12)13/h7,9,16H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 278.25 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 116780737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).