4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one

C15H28N2O2 — CID 59067693

IUPAC4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
SMILESCC(C)(C)N1CCC2OCC(=O)N(C(C)(C)C)C2C1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)16-8-7-12-11(9-16)17(15(4,5)6)13(18)10-19-12/h11-12H,7-10H2,1-6H3
InChIKeyKFLFPPKWDMEOLQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds

About 4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one

4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one (PubChem CID 59067693) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
PubChem CID59067693
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
SMILESCC(C)(C)N1CCC2OCC(=O)N(C(C)(C)C)C2C1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)16-8-7-12-11(9-16)17(15(4,5)6)13(18)10-19-12/h11-12H,7-10H2,1-6H3
InChIKeyKFLFPPKWDMEOLQ-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-(Cyclopropylmethoxy)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 75421366
[(4aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
CID 131686932
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
CID 131686965
[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
CID 155869722
Tert-butyl 4-oxo-octahydropiperazino[2,1-c]morpholine-8-carboxylate
CID 16123288
8-methyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 57646519
(R)-4-Oxo-hexahydro-pyrazino[2,1-c][1,4]oxazine-8-carboxylic acid tert-butyl ester
CID 58117095
(9aR)-8-methyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 58439173
8-propan-2-yl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 58529305
1-Piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone
CID 58547158
4-(1-Tert-butylpiperidin-4-yl)morpholin-3-one
CID 58674802
2-(1-Methylpiperidin-4-yl)oxy-1-morpholin-4-ylethanone
CID 59011794

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one?
The IUPAC name of 4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one (CID 59067693) is 4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one?
The canonical SMILES for 4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one is CC(C)(C)N1CCC2OCC(=O)N(C(C)(C)C)C2C1.
What is the InChIKey of 4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one?
The InChIKey is KFLFPPKWDMEOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)16-8-7-12-11(9-16)17(15(4,5)6)13(18)10-19-12/h11-12H,7-10H2,1-6H3.
What are the key properties of 4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one?
4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one has a molecular weight of 268.40 g/mol, XLogP of 1.89, 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-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 59067693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).