5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C12H12F2N2O2 — CID 56858312

IUPAC5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(Cc2cccc(F)c2F)n1
InChIInChI=1S/C12H12F2N2O2/c1-17-6-5-10-15-11(18-16-10)7-8-3-2-4-9(13)12(8)14/h2-4H,5-7H2,1H3
InChIKeyYNOFIYHQVVHQLZ-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.13
Rot. Bonds5

About 5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 56858312) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID56858312
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(Cc2cccc(F)c2F)n1
InChIInChI=1S/C12H12F2N2O2/c1-17-6-5-10-15-11(18-16-10)7-8-3-2-4-9(13)12(8)14/h2-4H,5-7H2,1H3
InChIKeyYNOFIYHQVVHQLZ-UHFFFAOYSA-N
XLogP2.13
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 56858312) is 5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(Cc2cccc(F)c2F)n1.
What is the InChIKey of 5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is YNOFIYHQVVHQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-17-6-5-10-15-11(18-16-10)7-8-3-2-4-9(13)12(8)14/h2-4H,5-7H2,1H3.
What are the key properties of 5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 254.24 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56858312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).