5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole

C17H9Cl2N3O2 — CID 71740242

IUPAC5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1-c1nocc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H9Cl2N3O2/c18-12-7-4-8-13(19)14(12)15-11(9-23-21-15)17-20-16(22-24-17)10-5-2-1-3-6-10/h1-9H
InChIKeyFVBCJTIPGJHYPH-UHFFFAOYSA-N
MW358.18 g/mol
LogP5.37
Rot. Bonds3

About 5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole

5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 71740242) has the molecular formula C17H9Cl2N3O2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID71740242
Molecular FormulaC17H9Cl2N3O2
Molecular Weight358.18 g/mol
Exact Mass357.01
IUPAC Name5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1-c1nocc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H9Cl2N3O2/c18-12-7-4-8-13(19)14(12)15-11(9-23-21-15)17-20-16(22-24-17)10-5-2-1-3-6-10/h1-9H
InChIKeyFVBCJTIPGJHYPH-UHFFFAOYSA-N
XLogP5.37
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.18
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
CID 90656750
5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 6459796
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
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
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]phenyl]boronic acid
CID 75486104
3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 25264646
2-[2-chloro-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250535
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
CID 168516715
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130
3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 80979825

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 71740242) is 5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole is Clc1cccc(Cl)c1-c1nocc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is FVBCJTIPGJHYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3O2/c18-12-7-4-8-13(19)14(12)15-11(9-23-21-15)17-20-16(22-24-17)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 358.18 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 71740242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).