2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine

C25H23NO3 — CID 102498198

IUPAC2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine
SMILESCOc1ccc(C2=CN(c3ccc(C)cc3)C=C(c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C25H23NO3/c1-18-4-10-21(11-5-18)26-16-24(19-6-12-22(27-2)13-7-19)29-25(17-26)20-8-14-23(28-3)15-9-20/h4-17H,1-3H3
InChIKeyGLZKTBGSOGOODF-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.85
Rot. Bonds5

About 2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine

2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine (PubChem CID 102498198) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine.

Molecular Properties

Compound Name2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine
PubChem CID102498198
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine
SMILESCOc1ccc(C2=CN(c3ccc(C)cc3)C=C(c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C25H23NO3/c1-18-4-10-21(11-5-18)26-16-24(19-6-12-22(27-2)13-7-19)29-25(17-26)20-8-14-23(28-3)15-9-20/h4-17H,1-3H3
InChIKeyGLZKTBGSOGOODF-UHFFFAOYSA-N
XLogP5.85
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine?
The IUPAC name of 2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine (CID 102498198) is 2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine.
What is the SMILES notation for 2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine?
The canonical SMILES for 2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine is COc1ccc(C2=CN(c3ccc(C)cc3)C=C(c3ccc(OC)cc3)O2)cc1.
What is the InChIKey of 2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine?
The InChIKey is GLZKTBGSOGOODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-18-4-10-21(11-5-18)26-16-24(19-6-12-22(27-2)13-7-19)29-25(17-26)20-8-14-23(28-3)15-9-20/h4-17H,1-3H3.
What are the key properties of 2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine?
2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine has a molecular weight of 385.46 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine is sourced from PubChem (CID 102498198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).