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

C18H11Cl2N3OS — CID 139238037

IUPAC2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Cc3csc(-c4ccc(Cl)cc4)n3)o2)cc1
InChIInChI=1S/C18H11Cl2N3OS/c19-13-5-1-11(2-6-13)17-23-22-16(24-17)9-15-10-25-18(21-15)12-3-7-14(20)8-4-12/h1-8,10H,9H2
InChIKeyJHOZFZQURATERQ-UHFFFAOYSA-N
MW388.28 g/mol
LogP5.76
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole (PubChem CID 139238037) has the molecular formula C18H11Cl2N3OS and a molecular weight of 388.28 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
PubChem CID139238037
Molecular FormulaC18H11Cl2N3OS
Molecular Weight388.28 g/mol
Exact Mass387.00
IUPAC Name2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Cc3csc(-c4ccc(Cl)cc4)n3)o2)cc1
InChIInChI=1S/C18H11Cl2N3OS/c19-13-5-1-11(2-6-13)17-23-22-16(24-17)9-15-10-25-18(21-15)12-3-7-14(20)8-4-12/h1-8,10H,9H2
InChIKeyJHOZFZQURATERQ-UHFFFAOYSA-N
XLogP5.76
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.28
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 139222143
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 9263800
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7816798
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139229606
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
CID 3043282
2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153717
2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153712
2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 112778299
4-chloro-2-(4-chlorophenyl)-1,3-thiazole
CID 83158200
2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole (CID 139238037) is 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole is Clc1ccc(-c2nnc(Cc3csc(-c4ccc(Cl)cc4)n3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is JHOZFZQURATERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3OS/c19-13-5-1-11(2-6-13)17-23-22-16(24-17)9-15-10-25-18(21-15)12-3-7-14(20)8-4-12/h1-8,10H,9H2.
What are the key properties of 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 388.28 g/mol, XLogP of 5.76, 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-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139238037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).