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

C18H12ClN3OS — CID 139238025

IUPAC2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Cc3csc(-c4ccccc4)n3)o2)cc1
InChIInChI=1S/C18H12ClN3OS/c19-14-8-6-12(7-9-14)17-22-21-16(23-17)10-15-11-24-18(20-15)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyJJEIRPLUCOJGAK-UHFFFAOYSA-N
MW353.83 g/mol
LogP5.10
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (PubChem CID 139238025) has the molecular formula C18H12ClN3OS and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
PubChem CID139238025
Molecular FormulaC18H12ClN3OS
Molecular Weight353.83 g/mol
Exact Mass353.04
IUPAC Name2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Cc3csc(-c4ccccc4)n3)o2)cc1
InChIInChI=1S/C18H12ClN3OS/c19-14-8-6-12(7-9-14)17-22-21-16(23-17)10-15-11-24-18(20-15)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyJJEIRPLUCOJGAK-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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Related Compounds

2-({[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}thio)-6-methylnicotinonitrile
CID 3563955
2-(4-Chlorophenyl)-5-[[(4-methyl-2-thiazolyl)thio]methyl]-1,3,4-oxadiazole
CID 2504736
2-(1,3-Benzothiazol-2-ylmethylsulfanyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 2563737
2-[(2-Phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 2085549
2-[4-(1,3-Benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 156012498
2-(4-Chlorophenyl)-5-(4-isopropylthiazol-2-yl)-1,3,4-oxadiazole
CID 46202518
2-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2814977
2-(4-Chlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127049555
2-(4-Chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole
CID 177372170
2-(4-Chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfinyl)-1,3,4-oxadiazole
CID 177372181
2-(((2-Methylthiazol-4-yl)methyl)thio)-5-phenyl-1,3,4-oxadiazole
CID 1503579
2-(4-Fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 2457094

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (CID 139238025) is 2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is Clc1ccc(-c2nnc(Cc3csc(-c4ccccc4)n3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is JJEIRPLUCOJGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS/c19-14-8-6-12(7-9-14)17-22-21-16(23-17)10-15-11-24-18(20-15)13-4-2-1-3-5-13/h1-9,11H,10H2.
What are the key properties of 2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-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-(4-chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139238025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).