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

C10H14F2N2O3 — CID 63344989

IUPAC1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESOC(Cc1nc(CC2CCCO2)no1)C(F)F
InChIInChI=1S/C10H14F2N2O3/c11-10(12)7(15)5-9-13-8(14-17-9)4-6-2-1-3-16-6/h6-7,10,15H,1-5H2
InChIKeySXEQRMSGXWAHIO-UHFFFAOYSA-N
MW248.23 g/mol
LogP0.96
Rot. Bonds5

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

1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 63344989) has the molecular formula C10H14F2N2O3 and a molecular weight of 248.23 g/mol. Its IUPAC name is 1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID63344989
Molecular FormulaC10H14F2N2O3
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESOC(Cc1nc(CC2CCCO2)no1)C(F)F
InChIInChI=1S/C10H14F2N2O3/c11-10(12)7(15)5-9-13-8(14-17-9)4-6-2-1-3-16-6/h6-7,10,15H,1-5H2
InChIKeySXEQRMSGXWAHIO-UHFFFAOYSA-N
XLogP0.96
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 63344989) is 1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is OC(Cc1nc(CC2CCCO2)no1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is SXEQRMSGXWAHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3/c11-10(12)7(15)5-9-13-8(14-17-9)4-6-2-1-3-16-6/h6-7,10,15H,1-5H2.
What are the key properties of 1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 248.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 63344989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).