(2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide

C19H22N4O4 — CID 158528317

About (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide

(2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide (PubChem CID 158528317) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide
• PubChem CID: 158528317
• Molecular Formula: C19H22N4O4
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.16
• IUPAC Name: (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide
• SMILES: C[C@H](Cc1ccc2c(c1)OCCn1nc(N3C(=O)OC[C@H]3C)cc1-2)C(N)=O
• InChI: InChI=1S/C19H22N4O4/c1-11(18(20)24)7-13-3-4-14-15-9-17(23-12(2)10-27-19(23)25)21-22(15)5-6-26-16(14)8-13/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H2,20,24)/t11-,12-/m1/s1
• InChIKey: IKIDAIOWASGUFH-VXGBXAGGSA-N
• XLogP: 1.95
• TPSA: 99.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide?

The IUPAC name of (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide (CID 158528317) is (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide.

What is the SMILES notation for (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide?

The canonical SMILES for (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide is C[C@H](Cc1ccc2c(c1)OCCn1nc(N3C(=O)OC[C@H]3C)cc1-2)C(N)=O.

What is the InChIKey of (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide?

The InChIKey is IKIDAIOWASGUFH-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11(18(20)24)7-13-3-4-14-15-9-17(23-12(2)10-27-19(23)25)21-22(15)5-6-26-16(14)8-13/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H2,20,24)/t11-,12-/m1/s1.

What are the key properties of (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide?

(2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide has a molecular weight of 370.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-methyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepin-9-yl]propanamide is sourced from PubChem (CID 158528317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).