2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine

C17H20N2O — CID 13212022

IUPAC2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine
SMILESCC(c1ccccc1)N1CC(C)(C)Oc2cccnc21
InChIInChI=1S/C17H20N2O/c1-13(14-8-5-4-6-9-14)19-12-17(2,3)20-15-10-7-11-18-16(15)19/h4-11,13H,12H2,1-3H3
InChIKeyJXDKHKKGSGLHQR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.82
Rot. Bonds2

About 2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine

2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine (PubChem CID 13212022) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine
PubChem CID13212022
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine
SMILESCC(c1ccccc1)N1CC(C)(C)Oc2cccnc21
InChIInChI=1S/C17H20N2O/c1-13(14-8-5-4-6-9-14)19-12-17(2,3)20-15-10-7-11-18-16(15)19/h4-11,13H,12H2,1-3H3
InChIKeyJXDKHKKGSGLHQR-UHFFFAOYSA-N
XLogP3.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine (CID 13212022) is 2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine is CC(c1ccccc1)N1CC(C)(C)Oc2cccnc21.
What is the InChIKey of 2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is JXDKHKKGSGLHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(14-8-5-4-6-9-14)19-12-17(2,3)20-15-10-7-11-18-16(15)19/h4-11,13H,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine?
2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 268.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 13212022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).