9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

C15H16IN3O2 — CID 139447250

IUPAC9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
SMILESC[C@@H]1COCN1c1cn2c(n1)-c1ccc(I)cc1OCC2
InChIInChI=1S/C15H16IN3O2/c1-10-8-20-9-19(10)14-7-18-4-5-21-13-6-11(16)2-3-12(13)15(18)17-14/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyOUIISPKSWFEDDW-SNVBAGLBSA-N
MW397.22 g/mol
LogP2.73
Rot. Bonds1

About 9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine (PubChem CID 139447250) has the molecular formula C15H16IN3O2 and a molecular weight of 397.22 g/mol. Its IUPAC name is 9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine.

Molecular Properties

Compound Name9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
PubChem CID139447250
Molecular FormulaC15H16IN3O2
Molecular Weight397.22 g/mol
Exact Mass397.03
IUPAC Name9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
SMILESC[C@@H]1COCN1c1cn2c(n1)-c1ccc(I)cc1OCC2
InChIInChI=1S/C15H16IN3O2/c1-10-8-20-9-19(10)14-7-18-4-5-21-13-6-11(16)2-3-12(13)15(18)17-14/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyOUIISPKSWFEDDW-SNVBAGLBSA-N
XLogP2.73
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one
CID 145221677
4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one
CID 138511072
ethane;4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one
CID 145221720
1-(9-bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-5-cyclopropyl-3-methylimidazolidine-2,4-dione
CID 167362701
(4S)-3-(9-bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-4-(difluoromethyl)-1,3-oxazolidine-2-thione;(4S)-3-(9-bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-4-(difluoromethyl)-1,3-oxazolidin-2-one
CID 159966957
(2S)-2-cyclobutyl-3-[2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]propanamide
CID 152822737
(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
12-chloro-4-methyl-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene
CID 129190889
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
2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 141378484
2-[[2-[(4S)-4-(fluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
CID 139433000
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502

Frequently Asked Questions

What is the IUPAC name of 9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The IUPAC name of 9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine (CID 139447250) is 9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine.
What is the SMILES notation for 9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The canonical SMILES for 9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine is C[C@@H]1COCN1c1cn2c(n1)-c1ccc(I)cc1OCC2.
What is the InChIKey of 9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The InChIKey is OUIISPKSWFEDDW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16IN3O2/c1-10-8-20-9-19(10)14-7-18-4-5-21-13-6-11(16)2-3-12(13)15(18)17-14/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m1/s1.
What are the key properties of 9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine has a molecular weight of 397.22 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-2-[(4R)-4-methyl-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine is sourced from PubChem (CID 139447250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).