methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate

C15H19N3O5 — CID 70287593

IUPACmethyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate
SMILESCOC(=O)C(N)[C@@H]1CN(c2ccc3c(c2)OCCN3C)C(=O)O1
InChIInChI=1S/C15H19N3O5/c1-17-5-6-22-11-7-9(3-4-10(11)17)18-8-12(23-15(18)20)13(16)14(19)21-2/h3-4,7,12-13H,5-6,8,16H2,1-2H3/t12-,13?/m0/s1
InChIKeyFCOXJBWOVJRQKV-UEWDXFNNSA-N
MW321.33 g/mol
LogP0.34
Rot. Bonds3

About methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate

methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate (PubChem CID 70287593) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate
PubChem CID70287593
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Namemethyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate
SMILESCOC(=O)C(N)[C@@H]1CN(c2ccc3c(c2)OCCN3C)C(=O)O1
InChIInChI=1S/C15H19N3O5/c1-17-5-6-22-11-7-9(3-4-10(11)17)18-8-12(23-15(18)20)13(16)14(19)21-2/h3-4,7,12-13H,5-6,8,16H2,1-2H3/t12-,13?/m0/s1
InChIKeyFCOXJBWOVJRQKV-UEWDXFNNSA-N
XLogP0.34
TPSA94.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide
CID 170876312
(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10149461
1-[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]ethylcarbamic acid
CID 68806113
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)adamantane-1-carboxamide
CID 110639695
7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22210893
methyl (2S,4R)-1-methyl-4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]pyrrolidine-2-carboxylate
CID 50958146
methyl (2S,4R)-4-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxylate
CID 133121013
methyl 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 42654312
(5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746383
(5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746333
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66736976
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one
CID 87130204

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate?
The IUPAC name of methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate (CID 70287593) is methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate.
What is the SMILES notation for methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate?
The canonical SMILES for methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate is COC(=O)C(N)[C@@H]1CN(c2ccc3c(c2)OCCN3C)C(=O)O1.
What is the InChIKey of methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate?
The InChIKey is FCOXJBWOVJRQKV-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-17-5-6-22-11-7-9(3-4-10(11)17)18-8-12(23-15(18)20)13(16)14(19)21-2/h3-4,7,12-13H,5-6,8,16H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate?
methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate has a molecular weight of 321.33 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[(5S)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]acetate is sourced from PubChem (CID 70287593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).