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

C18H11ClFN3OS — CID 139238040

IUPAC2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cc3csc(-c4ccc(Cl)cc4)n3)o2)cc1
InChIInChI=1S/C18H11ClFN3OS/c19-13-5-1-12(2-6-13)18-21-15(10-25-18)9-16-22-23-17(24-16)11-3-7-14(20)8-4-11/h1-8,10H,9H2
InChIKeyUVCYIJNCRXMQBX-UHFFFAOYSA-N
MW371.82 g/mol
LogP5.24
Rot. Bonds4

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

2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 139238040) has the molecular formula C18H11ClFN3OS and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID139238040
Molecular FormulaC18H11ClFN3OS
Molecular Weight371.82 g/mol
Exact Mass371.03
IUPAC Name2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cc3csc(-c4ccc(Cl)cc4)n3)o2)cc1
InChIInChI=1S/C18H11ClFN3OS/c19-13-5-1-12(2-6-13)18-21-15(10-25-18)9-16-22-23-17(24-16)11-3-7-14(20)8-4-11/h1-8,10H,9H2
InChIKeyUVCYIJNCRXMQBX-UHFFFAOYSA-N
XLogP5.24
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[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-Fluorophenyl)-5-(1-((2-phenylthiazol-4-yl)methyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 56766046
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
2-(2-Fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139238026

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 139238040) is 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(Cc3csc(-c4ccc(Cl)cc4)n3)o2)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is UVCYIJNCRXMQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3OS/c19-13-5-1-12(2-6-13)18-21-15(10-25-18)9-16-22-23-17(24-16)11-3-7-14(20)8-4-11/h1-8,10H,9H2.
What are the key properties of 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 371.82 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 139238040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).