methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid

C16H19N3O6 — CID 68806114

IUPACmethyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid
SMILESCN(C[C@H]1CN(c2ccc3c(c2)CCOC(=O)N3C)C(=O)O1)C(=O)O
InChIInChI=1S/C16H19N3O6/c1-17(14(20)21)8-12-9-19(16(23)25-12)11-3-4-13-10(7-11)5-6-24-15(22)18(13)2/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyUFVUEQVEXRRPJH-LBPRGKRZSA-N
MW349.34 g/mol
LogP1.75
Rot. Bonds3

About methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid

methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid (PubChem CID 68806114) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid
PubChem CID68806114
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Namemethyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid
SMILESCN(C[C@H]1CN(c2ccc3c(c2)CCOC(=O)N3C)C(=O)O1)C(=O)O
InChIInChI=1S/C16H19N3O6/c1-17(14(20)21)8-12-9-19(16(23)25-12)11-3-4-13-10(7-11)5-6-24-15(22)18(13)2/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyUFVUEQVEXRRPJH-LBPRGKRZSA-N
XLogP1.75
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(5S)-3-(9-fluoro-1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl-methylcarbamic acid
CID 68806292
N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 74082458
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
methyl-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamothioic S-acid
CID 21026141
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
3-(1-acetyl-2,3-dihydroindol-5-yl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 22982594
N-[[3-(3-cyanoimino-4-methyl-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 85417223
methyl N-[[3-(2-methoxyimino-1-methyl-3,4-dihydroquinolin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 72791269
N-[[(5S)-3-(4H-imidazo[2,1-c][1,4]benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylcarbamate
CID 57371759
N-[[(5S)-3-(9-fluoro-1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 23660122
(5S)-5-(aminomethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one
CID 59953065
5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid
CID 91285612

Frequently Asked Questions

What is the IUPAC name of methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid?
The IUPAC name of methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid (CID 68806114) is methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid.
What is the SMILES notation for methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid?
The canonical SMILES for methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid is CN(C[C@H]1CN(c2ccc3c(c2)CCOC(=O)N3C)C(=O)O1)C(=O)O.
What is the InChIKey of methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid?
The InChIKey is UFVUEQVEXRRPJH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-17(14(20)21)8-12-9-19(16(23)25-12)11-3-4-13-10(7-11)5-6-24-15(22)18(13)2/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid?
methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid has a molecular weight of 349.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[(5S)-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamic acid is sourced from PubChem (CID 68806114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).