6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C18H18FN3O3 — CID 54592010

IUPAC6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccc(F)cc2)CO1
InChIInChI=1S/C18H18FN3O3/c1-11-8-22(14(9-24-11)12-2-4-13(19)5-3-12)16-7-6-15-18(20-16)21-17(23)10-25-15/h2-7,11,14H,8-10H2,1H3,(H,20,21,23)/t11-,14+/m1/s1
InChIKeyZWUDTBNXYUAERB-RISCZKNCSA-N
MW343.36 g/mol
LogP2.52
Rot. Bonds2

About 6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 54592010) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID54592010
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccc(F)cc2)CO1
InChIInChI=1S/C18H18FN3O3/c1-11-8-22(14(9-24-11)12-2-4-13(19)5-3-12)16-7-6-15-18(20-16)21-17(23)10-25-15/h2-7,11,14H,8-10H2,1H3,(H,20,21,23)/t11-,14+/m1/s1
InChIKeyZWUDTBNXYUAERB-RISCZKNCSA-N
XLogP2.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 54592010) is 6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is C[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccc(F)cc2)CO1.
What is the InChIKey of 6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZWUDTBNXYUAERB-RISCZKNCSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11-8-22(14(9-24-11)12-2-4-13(19)5-3-12)16-7-6-15-18(20-16)21-17(23)10-25-15/h2-7,11,14H,8-10H2,1H3,(H,20,21,23)/t11-,14+/m1/s1.
What are the key properties of 6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 343.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 54592010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).