3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one

C8H9F2N3O3 — CID 106398954

IUPAC3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one
SMILESO=C1OC(CNCc2ncon2)CC1(F)F
InChIInChI=1S/C8H9F2N3O3/c9-8(10)1-5(16-7(8)14)2-11-3-6-12-4-15-13-6/h4-5,11H,1-3H2
InChIKeyTXTDLWZKKGBBDY-UHFFFAOYSA-N
MW233.17 g/mol
LogP0.11
Rot. Bonds4

About 3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one

3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one (PubChem CID 106398954) has the molecular formula C8H9F2N3O3 and a molecular weight of 233.17 g/mol. Its IUPAC name is 3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one
PubChem CID106398954
Molecular FormulaC8H9F2N3O3
Molecular Weight233.17 g/mol
Exact Mass233.06
IUPAC Name3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one
SMILESO=C1OC(CNCc2ncon2)CC1(F)F
InChIInChI=1S/C8H9F2N3O3/c9-8(10)1-5(16-7(8)14)2-11-3-6-12-4-15-13-6/h4-5,11H,1-3H2
InChIKeyTXTDLWZKKGBBDY-UHFFFAOYSA-N
XLogP0.11
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one (CID 106398954) is 3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one is O=C1OC(CNCc2ncon2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one?
The InChIKey is TXTDLWZKKGBBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3/c9-8(10)1-5(16-7(8)14)2-11-3-6-12-4-15-13-6/h4-5,11H,1-3H2.
What are the key properties of 3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one?
3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one has a molecular weight of 233.17 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one is sourced from PubChem (CID 106398954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).