3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine

C23H22N2O — CID 134998416

IUPAC3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine
SMILESCc1ccc(C2=NOC(c3ccccc3)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C23H22N2O/c1-17-8-12-19(13-9-17)22-16-25(21-14-10-18(2)11-15-21)23(26-24-22)20-6-4-3-5-7-20/h3-15,23H,16H2,1-2H3
InChIKeyNYDCCNFCIXLTOS-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.24
Rot. Bonds3

About 3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine

3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine (PubChem CID 134998416) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine.

Molecular Properties

Compound Name3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine
PubChem CID134998416
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine
SMILESCc1ccc(C2=NOC(c3ccccc3)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C23H22N2O/c1-17-8-12-19(13-9-17)22-16-25(21-14-10-18(2)11-15-21)23(26-24-22)20-6-4-3-5-7-20/h3-15,23H,16H2,1-2H3
InChIKeyNYDCCNFCIXLTOS-UHFFFAOYSA-N
XLogP5.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine?
The IUPAC name of 3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine (CID 134998416) is 3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine.
What is the SMILES notation for 3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine?
The canonical SMILES for 3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine is Cc1ccc(C2=NOC(c3ccccc3)N(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine?
The InChIKey is NYDCCNFCIXLTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-17-8-12-19(13-9-17)22-16-25(21-14-10-18(2)11-15-21)23(26-24-22)20-6-4-3-5-7-20/h3-15,23H,16H2,1-2H3.
What are the key properties of 3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine?
3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine has a molecular weight of 342.44 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methylphenyl)-6-phenyl-4,6-dihydro-1,2,5-oxadiazine is sourced from PubChem (CID 134998416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).