5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C24H21FN2O2 — CID 3418607

IUPAC5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1F
InChIInChI=1S/C24H21FN2O2/c1-3-14-28-22-13-12-20(15-21(22)25)17-8-10-19(11-9-17)24-26-23(27-29-24)18-6-4-16(2)5-7-18/h4-13,15H,3,14H2,1-2H3
InChIKeyZLOQNDXNCYTLLB-UHFFFAOYSA-N
MW388.44 g/mol
LogP6.31
Rot. Bonds6

About 5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 3418607) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID3418607
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1F
InChIInChI=1S/C24H21FN2O2/c1-3-14-28-22-13-12-20(15-21(22)25)17-8-10-19(11-9-17)24-26-23(27-29-24)18-6-4-16(2)5-7-18/h4-13,15H,3,14H2,1-2H3
InChIKeyZLOQNDXNCYTLLB-UHFFFAOYSA-N
XLogP6.31
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 3418607) is 5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is CCCOc1ccc(-c2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1F.
What is the InChIKey of 5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is ZLOQNDXNCYTLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-3-14-28-22-13-12-20(15-21(22)25)17-8-10-19(11-9-17)24-26-23(27-29-24)18-6-4-16(2)5-7-18/h4-13,15H,3,14H2,1-2H3.
What are the key properties of 5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 388.44 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluoro-4-propoxyphenyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3418607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).