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

C16H14FN3O2S — CID 126767030

IUPAC3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3cnc(C4CCCO4)s3)n2)cc1F
InChIInChI=1S/C16H14FN3O2S/c1-9-4-5-10(7-11(9)17)14-19-15(22-20-14)13-8-18-16(23-13)12-3-2-6-21-12/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyVNPTWWHUCCMVLH-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.16
Rot. Bonds3

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

3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole (PubChem CID 126767030) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole
PubChem CID126767030
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3cnc(C4CCCO4)s3)n2)cc1F
InChIInChI=1S/C16H14FN3O2S/c1-9-4-5-10(7-11(9)17)14-19-15(22-20-14)13-8-18-16(23-13)12-3-2-6-21-12/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyVNPTWWHUCCMVLH-UHFFFAOYSA-N
XLogP4.16
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole (CID 126767030) is 3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3cnc(C4CCCO4)s3)n2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is VNPTWWHUCCMVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-9-4-5-10(7-11(9)17)14-19-15(22-20-14)13-8-18-16(23-13)12-3-2-6-21-12/h4-5,7-8,12H,2-3,6H2,1H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 331.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 126767030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).