2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C14H17FN2O2 — CID 58834742

IUPAC2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(C)c1cc(-c2noc(C(C)(C)O)n2)ccc1F
InChIInChI=1S/C14H17FN2O2/c1-8(2)10-7-9(5-6-11(10)15)12-16-13(19-17-12)14(3,4)18/h5-8,18H,1-4H3
InChIKeyVNGUAMAIZLNUJJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.23
Rot. Bonds3

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

2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 58834742) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID58834742
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(C)c1cc(-c2noc(C(C)(C)O)n2)ccc1F
InChIInChI=1S/C14H17FN2O2/c1-8(2)10-7-9(5-6-11(10)15)12-16-13(19-17-12)14(3,4)18/h5-8,18H,1-4H3
InChIKeyVNGUAMAIZLNUJJ-UHFFFAOYSA-N
XLogP3.23
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 58834742) is 2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(C)c1cc(-c2noc(C(C)(C)O)n2)ccc1F.
What is the InChIKey of 2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is VNGUAMAIZLNUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8(2)10-7-9(5-6-11(10)15)12-16-13(19-17-12)14(3,4)18/h5-8,18H,1-4H3.
What are the key properties of 2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 264.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 58834742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).