methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate

C17H17FN2O3 — CID 134306960

IUPACmethyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(F)cc2)c2c(n1)N(C)CCO2
InChIInChI=1S/C17H17FN2O3/c1-20-7-8-23-15-12(9-11-3-5-13(18)6-4-11)10-14(17(21)22-2)19-16(15)20/h3-6,10H,7-9H2,1-2H3
InChIKeyOPIIJWMCBBCJSJ-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.43
Rot. Bonds3

About methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate

methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate (PubChem CID 134306960) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate
PubChem CID134306960
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Namemethyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(F)cc2)c2c(n1)N(C)CCO2
InChIInChI=1S/C17H17FN2O3/c1-20-7-8-23-15-12(9-11-3-5-13(18)6-4-11)10-14(17(21)22-2)19-16(15)20/h3-6,10H,7-9H2,1-2H3
InChIKeyOPIIJWMCBBCJSJ-UHFFFAOYSA-N
XLogP2.43
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate?
The IUPAC name of methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate (CID 134306960) is methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate.
What is the SMILES notation for methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate?
The canonical SMILES for methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate is COC(=O)c1cc(Cc2ccc(F)cc2)c2c(n1)N(C)CCO2.
What is the InChIKey of methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate?
The InChIKey is OPIIJWMCBBCJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-20-7-8-23-15-12(9-11-3-5-13(18)6-4-11)10-14(17(21)22-2)19-16(15)20/h3-6,10H,7-9H2,1-2H3.
What are the key properties of methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate?
methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate has a molecular weight of 316.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate is sourced from PubChem (CID 134306960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).