2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol

C14H17FN2O2 — CID 55221114

IUPAC2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C14H17FN2O2/c1-4-12(18)9(3)14-16-13(17-19-14)11-7-10(15)6-5-8(11)2/h5-7,9,12,18H,4H2,1-3H3
InChIKeyLEMMJFITZHXWFB-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.06
Rot. Bonds4

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

2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol (PubChem CID 55221114) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol.

Molecular Properties

Compound Name2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
PubChem CID55221114
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C14H17FN2O2/c1-4-12(18)9(3)14-16-13(17-19-14)11-7-10(15)6-5-8(11)2/h5-7,9,12,18H,4H2,1-3H3
InChIKeyLEMMJFITZHXWFB-UHFFFAOYSA-N
XLogP3.06
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The IUPAC name of 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol (CID 55221114) is 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol.
What is the SMILES notation for 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The canonical SMILES for 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol is CCC(O)C(C)c1nc(-c2cc(F)ccc2C)no1.
What is the InChIKey of 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The InChIKey is LEMMJFITZHXWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-4-12(18)9(3)14-16-13(17-19-14)11-7-10(15)6-5-8(11)2/h5-7,9,12,18H,4H2,1-3H3.
What are the key properties of 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol has a molecular weight of 264.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol is sourced from PubChem (CID 55221114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).