4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine

C15H26N2O — CID 20773179

IUPAC4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCO2
InChIInChI=1S/C15H26N2O/c1-14(2,3)16-8-7-13-12(11-16)17(9-10-18-13)15(4,5)6/h7-8H,9-11H2,1-6H3
InChIKeyHRAHHXBHUXNSIM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.96
Rot. Bonds

About 4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine

4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine (PubChem CID 20773179) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine
PubChem CID20773179
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCO2
InChIInChI=1S/C15H26N2O/c1-14(2,3)16-8-7-13-12(11-16)17(9-10-18-13)15(4,5)6/h7-8H,9-11H2,1-6H3
InChIKeyHRAHHXBHUXNSIM-UHFFFAOYSA-N
XLogP2.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The IUPAC name of 4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine (CID 20773179) is 4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for 4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The canonical SMILES for 4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine is CC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCO2.
What is the InChIKey of 4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The InChIKey is HRAHHXBHUXNSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14(2,3)16-8-7-13-12(11-16)17(9-10-18-13)15(4,5)6/h7-8H,9-11H2,1-6H3.
What are the key properties of 4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine has a molecular weight of 250.39 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-3,5-dihydro-2H-pyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 20773179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).