5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole

C19H13FN2O — CID 160804234

IUPAC5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc2cc(-c3noc(-c4cccc(F)c4)n3)ccc2c1
InChIInChI=1S/C19H13FN2O/c1-12-5-6-14-10-15(8-7-13(14)9-12)18-21-19(23-22-18)16-3-2-4-17(20)11-16/h2-11H,1H3
InChIKeyCJZCMVKBGTVPTG-UHFFFAOYSA-N
MW304.32 g/mol
LogP5.00
Rot. Bonds2

About 5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole

5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole (PubChem CID 160804234) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
PubChem CID160804234
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc2cc(-c3noc(-c4cccc(F)c4)n3)ccc2c1
InChIInChI=1S/C19H13FN2O/c1-12-5-6-14-10-15(8-7-13(14)9-12)18-21-19(23-22-18)16-3-2-4-17(20)11-16/h2-11H,1H3
InChIKeyCJZCMVKBGTVPTG-UHFFFAOYSA-N
XLogP5.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.32
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 43514837
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823083
2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 60836256
3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
CID 50928266
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 43514855
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole (CID 160804234) is 5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole is Cc1ccc2cc(-c3noc(-c4cccc(F)c4)n3)ccc2c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole?
The InChIKey is CJZCMVKBGTVPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c1-12-5-6-14-10-15(8-7-13(14)9-12)18-21-19(23-22-18)16-3-2-4-17(20)11-16/h2-11H,1H3.
What are the key properties of 5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole?
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole has a molecular weight of 304.32 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 160804234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).