3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole

C20H14ClFN2O — CID 71816440

IUPAC3-(4-chlorophenyl)-5-(4-fluorophenyl)-4-phenyl-5H-1,2,4-oxadiazole
SMILESC1=CC=C(C=C1)N2C(ON=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F
InChIInChI=1S/C20H14ClFN2O/c21-16-10-6-14(7-11-16)19-23-25-20(15-8-12-17(22)13-9-15)24(19)18-4-2-1-3-5-18/h1-13,20H
InChIKeyVLGMEZOOLGNFIU-UHFFFAOYSA-N
MW352.80 g/mol
LogP5.40
Rot. Bonds3

About 3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole

3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole (PubChem CID 71816440) has the molecular formula C20H14ClFN2O and a molecular weight of 352.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-fluorophenyl)-4-phenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole
PubChem CID71816440
Molecular FormulaC20H14ClFN2O
Molecular Weight352.80 g/mol
Exact Mass352.08
IUPAC Name3-(4-chlorophenyl)-5-(4-fluorophenyl)-4-phenyl-5H-1,2,4-oxadiazole
SMILESC1=CC=C(C=C1)N2C(ON=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F
InChIInChI=1S/C20H14ClFN2O/c21-16-10-6-14(7-11-16)19-23-25-20(15-8-12-17(22)13-9-15)24(19)18-4-2-1-3-5-18/h1-13,20H
InChIKeyVLGMEZOOLGNFIU-UHFFFAOYSA-N
XLogP5.40
TPSA24.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity466

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.80
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorophenyl)-4,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 12674730
(3,5-Bis(4-chlorophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole)
CID 71816441
3,4-bis(4-chlorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
CID 145721597
3,4-bis(4-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
CID 172451028
3,4,5-triphenyl-5H-1,2,4-oxadiazole
CID 10990238
3-(4-Chlorophenyl)-4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2,4-oxadiazole
CID 145721583
4-(4-Chlorophenyl)-3-(4-fluorophenyl)-5-(p-tolyl)-4,5-dihydro-1,2,4-oxadiazole
CID 145721603
3-(4-Chlorophenyl)-4-(4-fluorophenyl)-5-(p-tolyl)-4,5-dihydro-1,2,4-oxadiazole
CID 145721604
3,4,5-tris(4-chlorophenyl)-5H-1,2,4-oxadiazole
CID 76320492
3,4-Bis(4-chlorophenyl)-5-(p-tolyl)-4,5-dihydro-1,2,4-oxadiazole
CID 145721609
(5S)-4-(4-chlorophenyl)-3,5-bis(4-nitrophenyl)-5H-1,2,4-oxadiazole
CID 1938233
(5R)-4-(4-chlorophenyl)-3,5-bis(4-nitrophenyl)-5H-1,2,4-oxadiazole
CID 1938234

Frequently Asked Questions

What is the IUPAC name of 3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole (CID 71816440) is 3-(4-chlorophenyl)-5-(4-fluorophenyl)-4-phenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole is C1=CC=C(C=C1)N2C(ON=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F.
What is the InChIKey of 3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole?
The InChIKey is VLGMEZOOLGNFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O/c21-16-10-6-14(7-11-16)19-23-25-20(15-8-12-17(22)13-9-15)24(19)18-4-2-1-3-5-18/h1-13,20H.
What are the key properties of 3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole?
3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole has a molecular weight of 352.80 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 71816440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).