8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C15H13F3N2O — CID 67174394

IUPAC8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)nc2c1NCCO2
InChIInChI=1S/C15H13F3N2O/c1-9-7-12(20-14-13(9)19-5-6-21-14)10-3-2-4-11(8-10)15(16,17)18/h2-4,7-8,19H,5-6H2,1H3
InChIKeyZMQUXLHBHIGRJP-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.88
Rot. Bonds1

About 8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 67174394) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID67174394
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)nc2c1NCCO2
InChIInChI=1S/C15H13F3N2O/c1-9-7-12(20-14-13(9)19-5-6-21-14)10-3-2-4-11(8-10)15(16,17)18/h2-4,7-8,19H,5-6H2,1H3
InChIKeyZMQUXLHBHIGRJP-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The IUPAC name of 8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 67174394) is 8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is Cc1cc(-c2cccc(C(F)(F)F)c2)nc2c1NCCO2.
What is the InChIKey of 8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The InChIKey is ZMQUXLHBHIGRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-9-7-12(20-14-13(9)19-5-6-21-14)10-3-2-4-11(8-10)15(16,17)18/h2-4,7-8,19H,5-6H2,1H3.
What are the key properties of 8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 294.28 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 67174394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).