7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C14H14N2O2 — CID 53319740

IUPAC7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESc1ccc(OCc2cnc3c(c2)OCCN3)cc1
InChIInChI=1S/C14H14N2O2/c1-2-4-12(5-3-1)18-10-11-8-13-14(16-9-11)15-6-7-17-13/h1-5,8-9H,6-7,10H2,(H,15,16)
InChIKeyGMBFLYCSKIZGSA-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.46
Rot. Bonds3

About 7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 53319740) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID53319740
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESc1ccc(OCc2cnc3c(c2)OCCN3)cc1
InChIInChI=1S/C14H14N2O2/c1-2-4-12(5-3-1)18-10-11-8-13-14(16-9-11)15-6-7-17-13/h1-5,8-9H,6-7,10H2,(H,15,16)
InChIKeyGMBFLYCSKIZGSA-UHFFFAOYSA-N
XLogP2.46
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 53319740) is 7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is c1ccc(OCc2cnc3c(c2)OCCN3)cc1.
What is the InChIKey of 7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is GMBFLYCSKIZGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-4-12(5-3-1)18-10-11-8-13-14(16-9-11)15-6-7-17-13/h1-5,8-9H,6-7,10H2,(H,15,16).
What are the key properties of 7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 242.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 53319740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).