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

C18H12FN3OS — CID 139238026

IUPAC2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(Cc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C18H12FN3OS/c19-15-9-5-4-8-14(15)17-22-21-16(23-17)10-13-11-24-18(20-13)12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyAQUGETWKKMXWCS-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.59
Rot. Bonds4

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

2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (PubChem CID 139238026) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
PubChem CID139238026
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(Cc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C18H12FN3OS/c19-15-9-5-4-8-14(15)17-22-21-16(23-17)10-13-11-24-18(20-13)12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyAQUGETWKKMXWCS-UHFFFAOYSA-N
XLogP4.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (CID 139238026) is 2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is Fc1ccccc1-c1nnc(Cc2csc(-c3ccccc3)n2)o1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is AQUGETWKKMXWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-15-9-5-4-8-14(15)17-22-21-16(23-17)10-13-11-24-18(20-13)12-6-2-1-3-7-12/h1-9,11H,10H2.
What are the key properties of 2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 337.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139238026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).