7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one

C18H18FN3O3 — CID 54590901

IUPAC7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
SMILESC[C@@H]1CN(c2cc3c(cn2)OCC(=O)N3)[C@H](c2ccccc2F)CO1
InChIInChI=1S/C18H18FN3O3/c1-11-8-22(15(9-24-11)12-4-2-3-5-13(12)19)17-6-14-16(7-20-17)25-10-18(23)21-14/h2-7,11,15H,8-10H2,1H3,(H,21,23)/t11-,15+/m1/s1
InChIKeyBIWXPKQNQLRCJF-ABAIWWIYSA-N
MW343.36 g/mol
LogP2.52
Rot. Bonds2

About 7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one

7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one (PubChem CID 54590901) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
PubChem CID54590901
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
SMILESC[C@@H]1CN(c2cc3c(cn2)OCC(=O)N3)[C@H](c2ccccc2F)CO1
InChIInChI=1S/C18H18FN3O3/c1-11-8-22(15(9-24-11)12-4-2-3-5-13(12)19)17-6-14-16(7-20-17)25-10-18(23)21-14/h2-7,11,15H,8-10H2,1H3,(H,21,23)/t11-,15+/m1/s1
InChIKeyBIWXPKQNQLRCJF-ABAIWWIYSA-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 7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The IUPAC name of 7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one (CID 54590901) is 7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one.
What is the SMILES notation for 7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The canonical SMILES for 7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one is C[C@@H]1CN(c2cc3c(cn2)OCC(=O)N3)[C@H](c2ccccc2F)CO1.
What is the InChIKey of 7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The InChIKey is BIWXPKQNQLRCJF-ABAIWWIYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11-8-22(15(9-24-11)12-4-2-3-5-13(12)19)17-6-14-16(7-20-17)25-10-18(23)21-14/h2-7,11,15H,8-10H2,1H3,(H,21,23)/t11-,15+/m1/s1.
What are the key properties of 7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-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 7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one is sourced from PubChem (CID 54590901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).