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

C9H12F2N2O4 — CID 65351453

IUPAC3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESOC(Cc1nc(C2COCCO2)no1)C(F)F
InChIInChI=1S/C9H12F2N2O4/c10-8(11)5(14)3-7-12-9(13-17-7)6-4-15-1-2-16-6/h5-6,8,14H,1-4H2
InChIKeyBOHLZKWYXCTVCC-UHFFFAOYSA-N
MW250.20 g/mol
LogP0.33
Rot. Bonds4

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

3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (PubChem CID 65351453) has the molecular formula C9H12F2N2O4 and a molecular weight of 250.20 g/mol. Its IUPAC name is 3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
PubChem CID65351453
Molecular FormulaC9H12F2N2O4
Molecular Weight250.20 g/mol
Exact Mass250.08
IUPAC Name3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESOC(Cc1nc(C2COCCO2)no1)C(F)F
InChIInChI=1S/C9H12F2N2O4/c10-8(11)5(14)3-7-12-9(13-17-7)6-4-15-1-2-16-6/h5-6,8,14H,1-4H2
InChIKeyBOHLZKWYXCTVCC-UHFFFAOYSA-N
XLogP0.33
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 55220293
1,1,1-Trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55231272
3-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol
CID 63345173
3-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
CID 63345310
1,1,1-Trifluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345650
1,1,1-Trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345715
1,1-Difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345784
1,1-Difluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345852
1,1-Difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63346115
3-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol
CID 63346119
3-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
CID 63346256
1,1,1-Trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349190

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (CID 65351453) is 3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is OC(Cc1nc(C2COCCO2)no1)C(F)F.
What is the InChIKey of 3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The InChIKey is BOHLZKWYXCTVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O4/c10-8(11)5(14)3-7-12-9(13-17-7)6-4-15-1-2-16-6/h5-6,8,14H,1-4H2.
What are the key properties of 3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol has a molecular weight of 250.20 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 65351453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).