tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane

C17H23N3O4Si — CID 70284906

IUPACtert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1cn2c(n1)COc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C17H23N3O4Si/c1-17(2,3)25(4,5)24-10-12-9-19-14-7-6-13(20(21)22)8-15(14)23-11-16(19)18-12/h6-9H,10-11H2,1-5H3
InChIKeyXJALCEIMLWBXTN-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.19
Rot. Bonds4

About tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane

tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane (PubChem CID 70284906) has the molecular formula C17H23N3O4Si and a molecular weight of 361.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane
PubChem CID70284906
Molecular FormulaC17H23N3O4Si
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Nametert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1cn2c(n1)COc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C17H23N3O4Si/c1-17(2,3)25(4,5)24-10-12-9-19-14-7-6-13(20(21)22)8-15(14)23-11-16(19)18-12/h6-9H,10-11H2,1-5H3
InChIKeyXJALCEIMLWBXTN-UHFFFAOYSA-N
XLogP4.19
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-Nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 4430260
8-Methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 722261
4H-imidazo[2,1-c][1,4]benzoxazin-2-ylmethanol
CID 12909288
2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride
CID 12909295
(NZ)-N-(4H-imidazo[2,1-c][1,4]benzoxazin-2-ylmethylidene)hydroxylamine
CID 44268731
N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine
CID 75390778
4,4-Difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine
CID 54378488
4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)-1H-imidazole
CID 66859203
1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methyl-1H-imidazole
CID 67335069
9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine
CID 71052610
9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine
CID 89228080
4-Methyl-1-[4-nitro-2-(trifluoromethoxy)phenyl]imidazole
CID 118238064

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane (CID 70284906) is tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane is CC(C)(C)[Si](C)(C)OCc1cn2c(n1)COc1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane?
The InChIKey is XJALCEIMLWBXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4Si/c1-17(2,3)25(4,5)24-10-12-9-19-14-7-6-13(20(21)22)8-15(14)23-11-16(19)18-12/h6-9H,10-11H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane?
tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane has a molecular weight of 361.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane is sourced from PubChem (CID 70284906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).