4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one

C16H17N3O3 — CID 145221677

IUPAC4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one
SMILESCc1ccc2c(c1)OCCn1cc(N3C(=O)OCC3C)nc1-2
InChIInChI=1S/C16H17N3O3/c1-10-3-4-12-13(7-10)21-6-5-18-8-14(17-15(12)18)19-11(2)9-22-16(19)20/h3-4,7-8,11H,5-6,9H2,1-2H3
InChIKeyJMEVBSDEXNEBCZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.60
Rot. Bonds1

About 4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one

4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one (PubChem CID 145221677) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one
PubChem CID145221677
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one
SMILESCc1ccc2c(c1)OCCn1cc(N3C(=O)OCC3C)nc1-2
InChIInChI=1S/C16H17N3O3/c1-10-3-4-12-13(7-10)21-6-5-18-8-14(17-15(12)18)19-11(2)9-22-16(19)20/h3-4,7-8,11H,5-6,9H2,1-2H3
InChIKeyJMEVBSDEXNEBCZ-UHFFFAOYSA-N
XLogP2.60
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one (CID 145221677) is 4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one is Cc1ccc2c(c1)OCCn1cc(N3C(=O)OCC3C)nc1-2.
What is the InChIKey of 4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is JMEVBSDEXNEBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-3-4-12-13(7-10)21-6-5-18-8-14(17-15(12)18)19-11(2)9-22-16(19)20/h3-4,7-8,11H,5-6,9H2,1-2H3.
What are the key properties of 4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one?
4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 299.33 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 145221677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).