methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate

C16H15FN2O3 — CID 59158326

IUPACmethyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate
SMILESCOC(=O)c1ncc(Cc2ccc(F)cc2)c2c1NCCO2
InChIInChI=1S/C16H15FN2O3/c1-21-16(20)14-13-15(22-7-6-18-13)11(9-19-14)8-10-2-4-12(17)5-3-10/h2-5,9,18H,6-8H2,1H3
InChIKeyIUDGJIAQODPIFA-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.40
Rot. Bonds3

About methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate

methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate (PubChem CID 59158326) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate
PubChem CID59158326
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Namemethyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate
SMILESCOC(=O)c1ncc(Cc2ccc(F)cc2)c2c1NCCO2
InChIInChI=1S/C16H15FN2O3/c1-21-16(20)14-13-15(22-7-6-18-13)11(9-19-14)8-10-2-4-12(17)5-3-10/h2-5,9,18H,6-8H2,1H3
InChIKeyIUDGJIAQODPIFA-UHFFFAOYSA-N
XLogP2.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate?
The IUPAC name of methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate (CID 59158326) is methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate.
What is the SMILES notation for methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate?
The canonical SMILES for methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate is COC(=O)c1ncc(Cc2ccc(F)cc2)c2c1NCCO2.
What is the InChIKey of methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate?
The InChIKey is IUDGJIAQODPIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-21-16(20)14-13-15(22-7-6-18-13)11(9-19-14)8-10-2-4-12(17)5-3-10/h2-5,9,18H,6-8H2,1H3.
What are the key properties of methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate?
methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate has a molecular weight of 302.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate is sourced from PubChem (CID 59158326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).