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

C18H12FN3OS — CID 53035907

IUPAC5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cs1
InChIInChI=1S/C18H12FN3OS/c1-11-20-16(10-24-11)12-2-4-13(5-3-12)17-21-18(23-22-17)14-6-8-15(19)9-7-14/h2-10H,1H3
InChIKeyNFUMFDLHWXVPAC-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.97
Rot. Bonds3

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

5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53035907) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53035907
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cs1
InChIInChI=1S/C18H12FN3OS/c1-11-20-16(10-24-11)12-2-4-13(5-3-12)17-21-18(23-22-17)14-6-8-15(19)9-7-14/h2-10H,1H3
InChIKeyNFUMFDLHWXVPAC-UHFFFAOYSA-N
XLogP4.97
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (CID 53035907) is 5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cs1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is NFUMFDLHWXVPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c1-11-20-16(10-24-11)12-2-4-13(5-3-12)17-21-18(23-22-17)14-6-8-15(19)9-7-14/h2-10H,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 337.38 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53035907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).