5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C15H11FN2O2 — CID 102429088

IUPAC5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11FN2O2/c1-19-13-5-3-2-4-12(13)14-17-15(20-18-14)10-6-8-11(16)9-7-10/h2-9H,1H3
InChIKeyBSKCVWJSOGDNLL-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.55
Rot. Bonds3

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

5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 102429088) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID102429088
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11FN2O2/c1-19-13-5-3-2-4-12(13)14-17-15(20-18-14)10-6-8-11(16)9-7-10/h2-9H,1H3
InChIKeyBSKCVWJSOGDNLL-UHFFFAOYSA-N
XLogP3.55
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811619
3-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2183774
5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 25256566
3-(2-methoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527966
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460
5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 59606535
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-(2-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
CID 99963060
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 154747111
3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25256391
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 102429088) is 5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is BSKCVWJSOGDNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-19-13-5-3-2-4-12(13)14-17-15(20-18-14)10-6-8-11(16)9-7-10/h2-9H,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 270.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 102429088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).