3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole

C14H7Cl3N2O — CID 90656750

IUPAC3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1Cl
InChIInChI=1S/C14H7Cl3N2O/c15-10-7-6-9(11(16)12(10)17)14-18-13(19-20-14)8-4-2-1-3-5-8/h1-7H
InChIKeyLRTZVNJTJJWYOT-UHFFFAOYSA-N
MW325.58 g/mol
LogP5.36
Rot. Bonds2

About 3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole

3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole (PubChem CID 90656750) has the molecular formula C14H7Cl3N2O and a molecular weight of 325.58 g/mol. Its IUPAC name is 3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
PubChem CID90656750
Molecular FormulaC14H7Cl3N2O
Molecular Weight325.58 g/mol
Exact Mass323.96
IUPAC Name3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1Cl
InChIInChI=1S/C14H7Cl3N2O/c15-10-7-6-9(11(16)12(10)17)14-18-13(19-20-14)8-4-2-1-3-5-8/h1-7H
InChIKeyLRTZVNJTJJWYOT-UHFFFAOYSA-N
XLogP5.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 6459796
5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 71740242
2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
CID 19324393
4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747216
5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
CID 71425543
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130
[4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]boronic acid
CID 75486104
5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 168525312
6-chloro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one
CID 20904161
3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103827436
4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136690616

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole (CID 90656750) is 3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1Cl.
What is the InChIKey of 3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is LRTZVNJTJJWYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O/c15-10-7-6-9(11(16)12(10)17)14-18-13(19-20-14)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole?
3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 325.58 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 90656750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).