6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole

C96H72N12O6S6 — CID 160924801

IUPAC6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole
SMILESCc1ccc(-c2nc3cc4nc(C)oc4cc3o2)cc1.Cc1ccc(-c2nc3cc4nc(C)oc4cc3s2)cc1.Cc1ccc(-c2nc3cc4nc(C)sc4cc3s2)cc1.Cc1ccc(-c2nc3cc4oc(C)nc4cc3o2)cc1.Cc1ccc(-c2nc3cc4oc(C)nc4cc3s2)cc1.Cc1ccc(-c2nc3cc4sc(C)nc4cc3s2)cc1
InChIInChI=1S/2C16H12N2O2.2C16H12N2OS.2C16H12N2S2/c1-9-3-5-11(6-4-9)16-18-13-8-14-12(7-15(13)20-16)17-10(2)19-14;1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12;1-9-3-5-11(6-4-9)16-18-13-7-14-12(8-15(13)20-16)17-10(2)19-14;1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12;1-9-3-5-11(6-4-9)16-18-13-8-14-12(7-15(13)20-16)17-10(2)19-14;1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12/h6*3-8H,1-2H3
InChIKeySSMPYIOCAOXONO-UHFFFAOYSA-N
MW1682.11 g/mol
LogP28.33
Rot. Bonds6

About 6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole

6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole (PubChem CID 160924801) has the molecular formula C96H72N12O6S6 and a molecular weight of 1682.11 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole
PubChem CID160924801
Molecular FormulaC96H72N12O6S6
Molecular Weight1682.11 g/mol
Exact Mass1680.40
IUPAC Name6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole
SMILESCc1ccc(-c2nc3cc4nc(C)oc4cc3o2)cc1.Cc1ccc(-c2nc3cc4nc(C)oc4cc3s2)cc1.Cc1ccc(-c2nc3cc4nc(C)sc4cc3s2)cc1.Cc1ccc(-c2nc3cc4oc(C)nc4cc3o2)cc1.Cc1ccc(-c2nc3cc4oc(C)nc4cc3s2)cc1.Cc1ccc(-c2nc3cc4sc(C)nc4cc3s2)cc1
InChIInChI=1S/2C16H12N2O2.2C16H12N2OS.2C16H12N2S2/c1-9-3-5-11(6-4-9)16-18-13-8-14-12(7-15(13)20-16)17-10(2)19-14;1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12;1-9-3-5-11(6-4-9)16-18-13-7-14-12(8-15(13)20-16)17-10(2)19-14;1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12;1-9-3-5-11(6-4-9)16-18-13-8-14-12(7-15(13)20-16)17-10(2)19-14;1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12/h6*3-8H,1-2H3
InChIKeySSMPYIOCAOXONO-UHFFFAOYSA-N
XLogP28.33
TPSA233.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001682.11
LogP ≤ 528.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole (CID 160924801) is 6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole is Cc1ccc(-c2nc3cc4nc(C)oc4cc3o2)cc1.Cc1ccc(-c2nc3cc4nc(C)oc4cc3s2)cc1.Cc1ccc(-c2nc3cc4nc(C)sc4cc3s2)cc1.Cc1ccc(-c2nc3cc4oc(C)nc4cc3o2)cc1.Cc1ccc(-c2nc3cc4oc(C)nc4cc3s2)cc1.Cc1ccc(-c2nc3cc4sc(C)nc4cc3s2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
The InChIKey is SSMPYIOCAOXONO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12N2O2.2C16H12N2OS.2C16H12N2S2/c1-9-3-5-11(6-4-9)16-18-13-8-14-12(7-15(13)20-16)17-10(2)19-14;1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12;1-9-3-5-11(6-4-9)16-18-13-7-14-12(8-15(13)20-16)17-10(2)19-14;1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12;1-9-3-5-11(6-4-9)16-18-13-8-14-12(7-15(13)20-16)17-10(2)19-14;1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12/h6*3-8H,1-2H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole has a molecular weight of 1682.11 g/mol, XLogP of 28.33, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzoxazole;2-methyl-6-(4-methylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 160924801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).