2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile

C19H18N4O3 — CID 54592089

IUPAC2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile
SMILESN#CC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C19H18N4O3/c20-9-8-14-10-23(15(11-25-14)13-4-2-1-3-5-13)17-7-6-16-19(21-17)22-18(24)12-26-16/h1-7,14-15H,8,10-12H2,(H,21,22,24)/t14-,15+/m1/s1
InChIKeyIQLFUXYOBMCCDH-CABCVRRESA-N
MW350.38 g/mol
LogP2.27
Rot. Bonds3

About 2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile

2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile (PubChem CID 54592089) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile
PubChem CID54592089
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile
SMILESN#CC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C19H18N4O3/c20-9-8-14-10-23(15(11-25-14)13-4-2-1-3-5-13)17-7-6-16-19(21-17)22-18(24)12-26-16/h1-7,14-15H,8,10-12H2,(H,21,22,24)/t14-,15+/m1/s1
InChIKeyIQLFUXYOBMCCDH-CABCVRRESA-N
XLogP2.27
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile?
The IUPAC name of 2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile (CID 54592089) is 2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile?
The canonical SMILES for 2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile is N#CC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1.
What is the InChIKey of 2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile?
The InChIKey is IQLFUXYOBMCCDH-CABCVRRESA-N. The full InChI is InChI=1S/C19H18N4O3/c20-9-8-14-10-23(15(11-25-14)13-4-2-1-3-5-13)17-7-6-16-19(21-17)22-18(24)12-26-16/h1-7,14-15H,8,10-12H2,(H,21,22,24)/t14-,15+/m1/s1.
What are the key properties of 2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile?
2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile has a molecular weight of 350.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-4-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl]acetonitrile is sourced from PubChem (CID 54592089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).