2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole

C10H9FN2O2 — CID 70798135

IUPAC2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCOc1cc(F)cc(-c2nnc(C)o2)c1
InChIInChI=1S/C10H9FN2O2/c1-6-12-13-10(15-6)7-3-8(11)5-9(4-7)14-2/h3-5H,1-2H3
InChIKeyMXYZMDCRKMXDEL-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.19
Rot. Bonds2

About 2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole

2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 70798135) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole
PubChem CID70798135
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCOc1cc(F)cc(-c2nnc(C)o2)c1
InChIInChI=1S/C10H9FN2O2/c1-6-12-13-10(15-6)7-3-8(11)5-9(4-7)14-2/h3-5H,1-2H3
InChIKeyMXYZMDCRKMXDEL-UHFFFAOYSA-N
XLogP2.19
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole (CID 70798135) is 2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole is COc1cc(F)cc(-c2nnc(C)o2)c1.
What is the InChIKey of 2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is MXYZMDCRKMXDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-6-12-13-10(15-6)7-3-8(11)5-9(4-7)14-2/h3-5H,1-2H3.
What are the key properties of 2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole?
2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 208.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxyphenyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 70798135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).