5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole

C10H8ClFN2O2 — CID 84593426

IUPAC5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C10H8ClFN2O2/c1-15-5-9-13-10(16-14-9)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKeyLWNPQEFCQDYGHW-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.68
Rot. Bonds3

About 5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole

5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 84593426) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID84593426
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C10H8ClFN2O2/c1-15-5-9-13-10(16-14-9)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKeyLWNPQEFCQDYGHW-UHFFFAOYSA-N
XLogP2.68
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63188189
1-[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879923
N-[[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 104879940
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
CID 107989150
3-(bromomethyl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 130536141
2-chloro-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094898
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336064
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 82879699
2-fluoro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 102926835
[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 63211461

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole (CID 84593426) is 5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(-c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is LWNPQEFCQDYGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c1-15-5-9-13-10(16-14-9)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3.
What are the key properties of 5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 242.64 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 84593426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).