3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol

C11H12FN3O3 — CID 168597024

IUPAC3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol
SMILESOCC(O)CNc1cccc(F)c1-c1ncon1
InChIInChI=1S/C11H12FN3O3/c12-8-2-1-3-9(13-4-7(17)5-16)10(8)11-14-6-18-15-11/h1-3,6-7,13,16-17H,4-5H2
InChIKeyZCKZCUSWMYFAMU-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.64
Rot. Bonds5

About 3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol

3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol (PubChem CID 168597024) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol
PubChem CID168597024
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol
SMILESOCC(O)CNc1cccc(F)c1-c1ncon1
InChIInChI=1S/C11H12FN3O3/c12-8-2-1-3-9(13-4-7(17)5-16)10(8)11-14-6-18-15-11/h1-3,6-7,13,16-17H,4-5H2
InChIKeyZCKZCUSWMYFAMU-UHFFFAOYSA-N
XLogP0.64
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dihydroxypropylamino)-6-fluorobenzamide
CID 168593553
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
CID 61143077
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]propane-1,2-diol
CID 168593514
3-[2-[(2-fluorophenyl)methylsulfanyl]anilino]propane-1,2-diol
CID 168597558
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol
CID 168595650
2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide
CID 169366627
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
[3-(2,3-dihydroxypropylamino)-2-methylphenyl]boronic acid
CID 168597479
3-(2-pyrimidin-2-ylsulfanylanilino)propane-1,2-diol
CID 168596269
3-(2-chloro-4-fluoro-3-methylanilino)propane-1,2-diol
CID 168594510

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol?
The IUPAC name of 3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol (CID 168597024) is 3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol is OCC(O)CNc1cccc(F)c1-c1ncon1.
What is the InChIKey of 3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol?
The InChIKey is ZCKZCUSWMYFAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-8-2-1-3-9(13-4-7(17)5-16)10(8)11-14-6-18-15-11/h1-3,6-7,13,16-17H,4-5H2.
What are the key properties of 3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol?
3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol has a molecular weight of 253.23 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol is sourced from PubChem (CID 168597024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).