6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one

C19H20N2O3 — CID 54576068

IUPAC6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one
SMILESC[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C19H20N2O3/c1-13-10-21(17(11-23-13)14-5-3-2-4-6-14)15-7-8-18-16(9-15)20-19(22)12-24-18/h2-9,13,17H,10-12H2,1H3,(H,20,22)/t13-,17+/m1/s1
InChIKeyFDGBWIKGRFTMJO-DYVFJYSZSA-N
MW324.38 g/mol
LogP2.98
Rot. Bonds2

About 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one

6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 54576068) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one
PubChem CID54576068
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one
SMILESC[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C19H20N2O3/c1-13-10-21(17(11-23-13)14-5-3-2-4-6-14)15-7-8-18-16(9-15)20-19(22)12-24-18/h2-9,13,17H,10-12H2,1H3,(H,20,22)/t13-,17+/m1/s1
InChIKeyFDGBWIKGRFTMJO-DYVFJYSZSA-N
XLogP2.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one (CID 54576068) is 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one is C[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)[C@H](c2ccccc2)CO1.
What is the InChIKey of 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is FDGBWIKGRFTMJO-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-10-21(17(11-23-13)14-5-3-2-4-6-14)15-7-8-18-16(9-15)20-19(22)12-24-18/h2-9,13,17H,10-12H2,1H3,(H,20,22)/t13-,17+/m1/s1.
What are the key properties of 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one?
6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 324.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 54576068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).