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

C18H12ClN3OS — CID 139238030

IUPAC2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1cccc(-c2nc(Cc3nnc(-c4ccccc4)o3)cs2)c1
InChIInChI=1S/C18H12ClN3OS/c19-14-8-4-7-13(9-14)18-20-15(11-24-18)10-16-21-22-17(23-16)12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKeyXAINRSRVJNAHCS-UHFFFAOYSA-N
MW353.83 g/mol
LogP5.10
Rot. Bonds4

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

2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 139238030) has the molecular formula C18H12ClN3OS and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID139238030
Molecular FormulaC18H12ClN3OS
Molecular Weight353.83 g/mol
Exact Mass353.04
IUPAC Name2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1cccc(-c2nc(Cc3nnc(-c4ccccc4)o3)cs2)c1
InChIInChI=1S/C18H12ClN3OS/c19-14-8-4-7-13(9-14)18-20-15(11-24-18)10-16-21-22-17(23-16)12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKeyXAINRSRVJNAHCS-UHFFFAOYSA-N
XLogP5.10
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.83
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole (CID 139238030) is 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole is Clc1cccc(-c2nc(Cc3nnc(-c4ccccc4)o3)cs2)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is XAINRSRVJNAHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS/c19-14-8-4-7-13(9-14)18-20-15(11-24-18)10-16-21-22-17(23-16)12-5-2-1-3-6-12/h1-9,11H,10H2.
What are the key properties of 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 353.83 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 139238030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).