2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

C62H69N11O5 — CID 162036197

IUPAC2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESCN.CN.CN.CN.CN.CN.Cc1ccc(-c2nc3cc4oc(-c5ccccc5)nc4cc3o2)cc1.Cc1ccc2nc(-c3ccc(-c4nc5ccccc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/2C21H14N2O2.C14H11NO.6CH5N/c1-13-6-11-17-19(12-13)25-21(23-17)15-9-7-14(8-10-15)20-22-16-4-2-3-5-18(16)24-20;1-13-7-9-15(10-8-13)21-23-17-12-18-16(11-19(17)25-21)22-20(24-18)14-5-3-2-4-6-14;1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11;6*1-2/h2*2-12H,1H3;2-9H,1H3;6*2H2,1H3
InChIKeyYWRFWMONXGUKAZ-UHFFFAOYSA-N
MW1048.31 g/mol
LogP12.48
Rot. Bonds5

About 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (PubChem CID 162036197) has the molecular formula C62H69N11O5 and a molecular weight of 1048.31 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
PubChem CID162036197
Molecular FormulaC62H69N11O5
Molecular Weight1048.31 g/mol
Exact Mass1047.55
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESCN.CN.CN.CN.CN.CN.Cc1ccc(-c2nc3cc4oc(-c5ccccc5)nc4cc3o2)cc1.Cc1ccc2nc(-c3ccc(-c4nc5ccccc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/2C21H14N2O2.C14H11NO.6CH5N/c1-13-6-11-17-19(12-13)25-21(23-17)15-9-7-14(8-10-15)20-22-16-4-2-3-5-18(16)24-20;1-13-7-9-15(10-8-13)21-23-17-12-18-16(11-19(17)25-21)22-20(24-18)14-5-3-2-4-6-14;1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11;6*1-2/h2*2-12H,1H3;2-9H,1H3;6*2H2,1H3
InChIKeyYWRFWMONXGUKAZ-UHFFFAOYSA-N
XLogP12.48
TPSA286.27 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001048.31
LogP ≤ 512.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole with MolForge

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Related Compounds

6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 6437308
[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium
CID 7339766
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (CID 162036197) is 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is CN.CN.CN.CN.CN.CN.Cc1ccc(-c2nc3cc4oc(-c5ccccc5)nc4cc3o2)cc1.Cc1ccc2nc(-c3ccc(-c4nc5ccccc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The InChIKey is YWRFWMONXGUKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H14N2O2.C14H11NO.6CH5N/c1-13-6-11-17-19(12-13)25-21(23-17)15-9-7-14(8-10-15)20-22-16-4-2-3-5-18(16)24-20;1-13-7-9-15(10-8-13)21-23-17-12-18-16(11-19(17)25-21)22-20(24-18)14-5-3-2-4-6-14;1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11;6*1-2/h2*2-12H,1H3;2-9H,1H3;6*2H2,1H3.
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole has a molecular weight of 1048.31 g/mol, XLogP of 12.48, 5 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 162036197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).