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

C17H10ClN3O2 — CID 71425543

IUPAC5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccccc1-c1cc(-c2nc(-c3ccccc3)no2)on1
InChIInChI=1S/C17H10ClN3O2/c18-13-9-5-4-8-12(13)14-10-15(22-20-14)17-19-16(21-23-17)11-6-2-1-3-7-11/h1-10H
InChIKeyJFYWAQKYYDOXLC-UHFFFAOYSA-N
MW323.74 g/mol
LogP4.71
Rot. Bonds3

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

5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 71425543) has the molecular formula C17H10ClN3O2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID71425543
Molecular FormulaC17H10ClN3O2
Molecular Weight323.74 g/mol
Exact Mass323.05
IUPAC Name5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccccc1-c1cc(-c2nc(-c3ccccc3)no2)on1
InChIInChI=1S/C17H10ClN3O2/c18-13-9-5-4-8-12(13)14-10-15(22-20-14)17-19-16(21-23-17)11-6-2-1-3-7-11/h1-10H
InChIKeyJFYWAQKYYDOXLC-UHFFFAOYSA-N
XLogP4.71
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 6459796
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 67512216
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
3-(2-chlorophenyl)-5-fluoro-1,2-oxazole
CID 142772559
4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747216
3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
CID 90656750
3-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2183774
[4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]boronic acid
CID 75486104
5-bromo-3-(2-chlorophenyl)-1,2-oxazole
CID 84709526
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
CID 143409135
5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 46329447
5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 71740242

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole (CID 71425543) is 5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole is Clc1ccccc1-c1cc(-c2nc(-c3ccccc3)no2)on1.
What is the InChIKey of 5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is JFYWAQKYYDOXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2/c18-13-9-5-4-8-12(13)14-10-15(22-20-14)17-19-16(21-23-17)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole?
5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 323.74 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 71425543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).