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

C22H18N2O2S — CID 24747803

IUPAC8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2-c2nc(-c4ccc(C)cc4)sc2CC3)cc1
InChIInChI=1S/C22H18N2O2S/c1-13-3-5-15(6-4-13)22-23-21-18(27-22)12-11-17-19(21)20(24-26-17)14-7-9-16(25-2)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyQPISJDFKODDDRC-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.55
Rot. Bonds3

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

8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (PubChem CID 24747803) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
PubChem CID24747803
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2-c2nc(-c4ccc(C)cc4)sc2CC3)cc1
InChIInChI=1S/C22H18N2O2S/c1-13-3-5-15(6-4-13)22-23-21-18(27-22)12-11-17-19(21)20(24-26-17)14-7-9-16(25-2)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyQPISJDFKODDDRC-UHFFFAOYSA-N
XLogP5.55
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The IUPAC name of 8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (CID 24747803) is 8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.
What is the SMILES notation for 8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The canonical SMILES for 8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is COc1ccc(-c2noc3c2-c2nc(-c4ccc(C)cc4)sc2CC3)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The InChIKey is QPISJDFKODDDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-13-3-5-15(6-4-13)22-23-21-18(27-22)12-11-17-19(21)20(24-26-17)14-7-9-16(25-2)10-8-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole has a molecular weight of 374.47 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is sourced from PubChem (CID 24747803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).