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

C17H16F3N5O4 — CID 146267102

IUPAC2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide
SMILESNC(=O)CNc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OCC2C(F)F)c1F
InChIInChI=1S/C17H16F3N5O4/c18-13(19)10-7-29-17(27)25(10)16-14(20)24-3-4-28-11-5-8(22-6-12(21)26)1-2-9(11)15(24)23-16/h1-2,5,10,13,22H,3-4,6-7H2,(H2,21,26)
InChIKeyUZOUJCLJFBAZEE-UHFFFAOYSA-N
MW411.34 g/mol
LogP1.57
Rot. Bonds5

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

2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide (PubChem CID 146267102) has the molecular formula C17H16F3N5O4 and a molecular weight of 411.34 g/mol. Its IUPAC name is 2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide
PubChem CID146267102
Molecular FormulaC17H16F3N5O4
Molecular Weight411.34 g/mol
Exact Mass411.12
IUPAC Name2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide
SMILESNC(=O)CNc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OCC2C(F)F)c1F
InChIInChI=1S/C17H16F3N5O4/c18-13(19)10-7-29-17(27)25(10)16-14(20)24-3-4-28-11-5-8(22-6-12(21)26)1-2-9(11)15(24)23-16/h1-2,5,10,13,22H,3-4,6-7H2,(H2,21,26)
InChIKeyUZOUJCLJFBAZEE-UHFFFAOYSA-N
XLogP1.57
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide with MolForge

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Related Compounds

(2R)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-3-hydroxy-2-methylpropanal
CID 163871942
(2S)-2-[[3-cyano-2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
CID 166662172
(2R)-3-[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide
CID 159094691
(4S)-3-(9-bromo-3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-4-(difluoromethyl)-1,3-oxazolidin-2-one
CID 146267082
2-[[4-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaen-12-yl]amino]acetamide
CID 146267273
2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide
CID 146267332
(2S)-1-[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide
CID 146267198
2-cyclopropyl-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide
CID 146234413
azanium (2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanoate
CID 142375505
(2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-(oxomethylidene)-1,3-oxazolidin-3-yl]-3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanoic acid
CID 176524740
(2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanoic acid
CID 135123114
(2S)-2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanoic acid
CID 176675069

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide?
The IUPAC name of 2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide (CID 146267102) is 2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide.
What is the SMILES notation for 2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide?
The canonical SMILES for 2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide is NC(=O)CNc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OCC2C(F)F)c1F.
What is the InChIKey of 2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide?
The InChIKey is UZOUJCLJFBAZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O4/c18-13(19)10-7-29-17(27)25(10)16-14(20)24-3-4-28-11-5-8(22-6-12(21)26)1-2-9(11)15(24)23-16/h1-2,5,10,13,22H,3-4,6-7H2,(H2,21,26).
What are the key properties of 2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide?
2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide has a molecular weight of 411.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide is sourced from PubChem (CID 146267102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).