N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

C15H17N3O5 — CID 74082458

IUPACN-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)C1CN(c2ccc3c(c2)CCOC(=O)N3C)C(=O)O1
InChIInChI=1S/C15H17N3O5/c1-16-13(19)12-8-18(15(21)23-12)10-3-4-11-9(7-10)5-6-22-14(20)17(11)2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyXIUMCEOEBCANMI-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.89
Rot. Bonds2

About N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 74082458) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID74082458
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)C1CN(c2ccc3c(c2)CCOC(=O)N3C)C(=O)O1
InChIInChI=1S/C15H17N3O5/c1-16-13(19)12-8-18(15(21)23-12)10-3-4-11-9(7-10)5-6-22-14(20)17(11)2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyXIUMCEOEBCANMI-UHFFFAOYSA-N
XLogP0.89
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)-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
(5R)-3-[1-(2-fluoroethyl)-2-oxo-3H-indol-5-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58599566
(5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10308812
(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10149461
(5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746248
(5R)-3-[4-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 87470731
N-methyl-2-oxo-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidine-5-carboxamide
CID 69414159
(5R)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10215354
(5R)-3-[1-(1-aminopropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 138624683
methyl N-[[3-(2-methoxyimino-1-methyl-3,4-dihydroquinolin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 72791269
(5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746383

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (CID 74082458) is N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is CNC(=O)C1CN(c2ccc3c(c2)CCOC(=O)N3C)C(=O)O1.
What is the InChIKey of N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is XIUMCEOEBCANMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-16-13(19)12-8-18(15(21)23-12)10-3-4-11-9(7-10)5-6-22-14(20)17(11)2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19).
What are the key properties of N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 74082458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).