2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

C21H15FN2O2S — CID 24789515

IUPAC2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2-c2nc(-c4ccccc4F)sc2CC3)cc1
InChIInChI=1S/C21H15FN2O2S/c1-25-13-8-6-12(7-9-13)19-18-16(26-24-19)10-11-17-20(18)23-21(27-17)14-4-2-3-5-15(14)22/h2-9H,10-11H2,1H3
InChIKeyIPGLESIGMDOHBQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.38
Rot. Bonds3

About 2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (PubChem CID 24789515) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
PubChem CID24789515
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC Name2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2-c2nc(-c4ccccc4F)sc2CC3)cc1
InChIInChI=1S/C21H15FN2O2S/c1-25-13-8-6-12(7-9-13)19-18-16(26-24-19)10-11-17-20(18)23-21(27-17)14-4-2-3-5-15(14)22/h2-9H,10-11H2,1H3
InChIKeyIPGLESIGMDOHBQ-UHFFFAOYSA-N
XLogP5.38
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The IUPAC name of 2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (CID 24789515) is 2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.
What is the SMILES notation for 2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The canonical SMILES for 2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is COc1ccc(-c2noc3c2-c2nc(-c4ccccc4F)sc2CC3)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The InChIKey is IPGLESIGMDOHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c1-25-13-8-6-12(7-9-13)19-18-16(26-24-19)10-11-17-20(18)23-21(27-17)14-4-2-3-5-15(14)22/h2-9H,10-11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole has a molecular weight of 378.43 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is sourced from PubChem (CID 24789515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).