5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine

C16H15NO2 — CID 89484982

IUPAC5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine
SMILESC1=C(c2ccc(Oc3ccccc3)cc2)NCCO1
InChIInChI=1S/C16H15NO2/c1-2-4-14(5-3-1)19-15-8-6-13(7-9-15)16-12-18-11-10-17-16/h1-9,12,17H,10-11H2
InChIKeyRKLLYUTVETXRII-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.40
Rot. Bonds3

About 5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine

5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine (PubChem CID 89484982) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine
PubChem CID89484982
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine
SMILESC1=C(c2ccc(Oc3ccccc3)cc2)NCCO1
InChIInChI=1S/C16H15NO2/c1-2-4-14(5-3-1)19-15-8-6-13(7-9-15)16-12-18-11-10-17-16/h1-9,12,17H,10-11H2
InChIKeyRKLLYUTVETXRII-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine (CID 89484982) is 5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine is C1=C(c2ccc(Oc3ccccc3)cc2)NCCO1.
What is the InChIKey of 5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is RKLLYUTVETXRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-4-14(5-3-1)19-15-8-6-13(7-9-15)16-12-18-11-10-17-16/h1-9,12,17H,10-11H2.
What are the key properties of 5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine?
5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 253.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 89484982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).