3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C15H20N2O3 — CID 104958563

IUPAC3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CNc3ccccc3O2)C[C@H](C)O1
InChIInChI=1S/C15H20N2O3/c1-10-8-17(9-11(2)19-10)15(18)14-7-16-12-5-3-4-6-13(12)20-14/h3-6,10-11,14,16H,7-9H2,1-2H3/t10-,11+,14?
InChIKeyVJZDTTDNMLSGLD-BVUQATHDSA-N
MW276.34 g/mol
LogP1.50
Rot. Bonds1

About 3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 104958563) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID104958563
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CNc3ccccc3O2)C[C@H](C)O1
InChIInChI=1S/C15H20N2O3/c1-10-8-17(9-11(2)19-10)15(18)14-7-16-12-5-3-4-6-13(12)20-14/h3-6,10-11,14,16H,7-9H2,1-2H3/t10-,11+,14?
InChIKeyVJZDTTDNMLSGLD-BVUQATHDSA-N
XLogP1.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79181648
3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220579
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone
CID 24696205
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 62930918
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495465
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63633700
3,4-dihydro-2H-1,4-benzoxazin-2-yl(1,4-oxazepan-4-yl)methanone
CID 62973281
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 7020375
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392499
N-(2,5-dimethylpyrrol-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 79107400
1-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61159517

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 104958563) is 3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)C2CNc3ccccc3O2)C[C@H](C)O1.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is VJZDTTDNMLSGLD-BVUQATHDSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-17(9-11(2)19-10)15(18)14-7-16-12-5-3-4-6-13(12)20-14/h3-6,10-11,14,16H,7-9H2,1-2H3/t10-,11+,14?.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 276.34 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 104958563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).