(2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal

C19H20F3N5O4 — CID 163512074

About (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal

(2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal (PubChem CID 163512074) has the molecular formula C19H20F3N5O4 and a molecular weight of 439.39 g/mol. Its IUPAC name is (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal.

Molecular Properties

• Compound Name: (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal
• PubChem CID: 163512074
• Molecular Formula: C19H20F3N5O4
• Molecular Weight: 439.39 g/mol
• Exact Mass: 439.15
• IUPAC Name: (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal
• SMILES: C[C@](C=O)(CN)Nc1cc(F)c2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2
• InChI: InChI=1S/C19H20F3N5O4/c1-19(8-23,9-28)25-10-4-11(20)15-13(5-10)30-3-2-26-6-14(24-17(15)26)27-12(16(21)22)7-31-18(27)29/h4-6,9,12,16,25H,2-3,7-8,23H2,1H3/t12-,19+/m0/s1
• InChIKey: DDNBNBDZXRGEOG-HXPMCKFVSA-N
• XLogP: 2.00
• TPSA: 111.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.39
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal?

The IUPAC name of (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal (CID 163512074) is (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal.

What is the SMILES notation for (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal?

The canonical SMILES for (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal is C[C@](C=O)(CN)Nc1cc(F)c2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2.

What is the InChIKey of (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal?

The InChIKey is DDNBNBDZXRGEOG-HXPMCKFVSA-N. The full InChI is InChI=1S/C19H20F3N5O4/c1-19(8-23,9-28)25-10-4-11(20)15-13(5-10)30-3-2-26-6-14(24-17(15)26)27-12(16(21)22)7-31-18(27)29/h4-6,9,12,16,25H,2-3,7-8,23H2,1H3/t12-,19+/m0/s1.

What are the key properties of (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal?

(2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal has a molecular weight of 439.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-amino-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-11-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-2-methylpropanal is sourced from PubChem (CID 163512074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).