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

C18H11ClFN3OS — CID 139238034

IUPAC2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cc3csc(-c4cccc(Cl)c4)n3)o2)cc1
InChIInChI=1S/C18H11ClFN3OS/c19-13-3-1-2-12(8-13)18-21-15(10-25-18)9-16-22-23-17(24-16)11-4-6-14(20)7-5-11/h1-8,10H,9H2
InChIKeyOAEFERGBCNTHNB-UHFFFAOYSA-N
MW371.82 g/mol
LogP5.24
Rot. Bonds4

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

2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 139238034) has the molecular formula C18H11ClFN3OS and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID139238034
Molecular FormulaC18H11ClFN3OS
Molecular Weight371.82 g/mol
Exact Mass371.03
IUPAC Name2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cc3csc(-c4cccc(Cl)c4)n3)o2)cc1
InChIInChI=1S/C18H11ClFN3OS/c19-13-3-1-2-12(8-13)18-21-15(10-25-18)9-16-22-23-17(24-16)11-4-6-14(20)7-5-11/h1-8,10H,9H2
InChIKeyOAEFERGBCNTHNB-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 139238034) is 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(Cc3csc(-c4cccc(Cl)c4)n3)o2)cc1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is OAEFERGBCNTHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3OS/c19-13-3-1-2-12(8-13)18-21-15(10-25-18)9-16-22-23-17(24-16)11-4-6-14(20)7-5-11/h1-8,10H,9H2.
What are the key properties of 2-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[[2-(3-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-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 139238034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).