3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole

C15H14FN3O2S — CID 99639331

IUPAC3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole
SMILESCOCc1nc(C)c(-c2nc(-c3ccc(F)c(C)c3)no2)s1
InChIInChI=1S/C15H14FN3O2S/c1-8-6-10(4-5-11(8)16)14-18-15(21-19-14)13-9(2)17-12(22-13)7-20-3/h4-6H,7H2,1-3H3
InChIKeyTXYBTNKEWVKIOH-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.76
Rot. Bonds4

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

3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole (PubChem CID 99639331) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole
PubChem CID99639331
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole
SMILESCOCc1nc(C)c(-c2nc(-c3ccc(F)c(C)c3)no2)s1
InChIInChI=1S/C15H14FN3O2S/c1-8-6-10(4-5-11(8)16)14-18-15(21-19-14)13-9(2)17-12(22-13)7-20-3/h4-6H,7H2,1-3H3
InChIKeyTXYBTNKEWVKIOH-UHFFFAOYSA-N
XLogP3.76
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole (CID 99639331) is 3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole is COCc1nc(C)c(-c2nc(-c3ccc(F)c(C)c3)no2)s1.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is TXYBTNKEWVKIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-8-6-10(4-5-11(8)16)14-18-15(21-19-14)13-9(2)17-12(22-13)7-20-3/h4-6H,7H2,1-3H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 319.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 99639331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).