1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine

C16H24N2O — CID 90075922

IUPAC1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine
SMILESCC(C)C1=C(C(C)C)N(C(C)C)c2cccnc2O1
InChIInChI=1S/C16H24N2O/c1-10(2)14-15(11(3)4)19-16-13(8-7-9-17-16)18(14)12(5)6/h7-12H,1-6H3
InChIKeyPGWXUWFPCIEMLI-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.21
Rot. Bonds3

About 1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine

1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine (PubChem CID 90075922) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine
PubChem CID90075922
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine
SMILESCC(C)C1=C(C(C)C)N(C(C)C)c2cccnc2O1
InChIInChI=1S/C16H24N2O/c1-10(2)14-15(11(3)4)19-16-13(8-7-9-17-16)18(14)12(5)6/h7-12H,1-6H3
InChIKeyPGWXUWFPCIEMLI-UHFFFAOYSA-N
XLogP4.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,3-tri(propan-2-yl)pyrido[2,3-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 1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine?
The IUPAC name of 1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine (CID 90075922) is 1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine is CC(C)C1=C(C(C)C)N(C(C)C)c2cccnc2O1.
What is the InChIKey of 1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine?
The InChIKey is PGWXUWFPCIEMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10(2)14-15(11(3)4)19-16-13(8-7-9-17-16)18(14)12(5)6/h7-12H,1-6H3.
What are the key properties of 1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine?
1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine has a molecular weight of 260.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 90075922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).