5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole

C12H7FN2OS — CID 2742521

IUPAC5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESFc1cccc(-c2csc(-c3ccno3)n2)c1
InChIInChI=1S/C12H7FN2OS/c13-9-3-1-2-8(6-9)10-7-17-12(15-10)11-4-5-14-16-11/h1-7H
InChIKeyGDZNGCPCWRMUMS-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.60
Rot. Bonds2

About 5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole

5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2742521) has the molecular formula C12H7FN2OS and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2742521
Molecular FormulaC12H7FN2OS
Molecular Weight246.27 g/mol
Exact Mass246.03
IUPAC Name5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESFc1cccc(-c2csc(-c3ccno3)n2)c1
InChIInChI=1S/C12H7FN2OS/c13-9-3-1-2-8(6-9)10-7-17-12(15-10)11-4-5-14-16-11/h1-7H
InChIKeyGDZNGCPCWRMUMS-UHFFFAOYSA-N
XLogP3.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole (CID 2742521) is 5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole is Fc1cccc(-c2csc(-c3ccno3)n2)c1.
What is the InChIKey of 5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is GDZNGCPCWRMUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2OS/c13-9-3-1-2-8(6-9)10-7-17-12(15-10)11-4-5-14-16-11/h1-7H.
What are the key properties of 5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 246.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2742521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).