oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

C19H27BN2O6 — CID 142508014

IUPACoxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
SMILESCC1(C)OB(c2cnc3c(c2)N(C(=O)OC2CCOCC2)CCO3)OC1(C)C
InChIInChI=1S/C19H27BN2O6/c1-18(2)19(3,4)28-20(27-18)13-11-15-16(21-12-13)25-10-7-22(15)17(23)26-14-5-8-24-9-6-14/h11-12,14H,5-10H2,1-4H3
InChIKeyOLXFUHGHDBHCPO-UHFFFAOYSA-N
MW390.25 g/mol
LogP1.90
Rot. Bonds2

About oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (PubChem CID 142508014) has the molecular formula C19H27BN2O6 and a molecular weight of 390.25 g/mol. Its IUPAC name is oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
PubChem CID142508014
Molecular FormulaC19H27BN2O6
Molecular Weight390.25 g/mol
Exact Mass390.20
IUPAC Nameoxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
SMILESCC1(C)OB(c2cnc3c(c2)N(C(=O)OC2CCOCC2)CCO3)OC1(C)C
InChIInChI=1S/C19H27BN2O6/c1-18(2)19(3,4)28-20(27-18)13-11-15-16(21-12-13)25-10-7-22(15)17(23)26-14-5-8-24-9-6-14/h11-12,14H,5-10H2,1-4H3
InChIKeyOLXFUHGHDBHCPO-UHFFFAOYSA-N
XLogP1.90
TPSA79.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate with MolForge

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Related Compounds

3-methyl-N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 174095079
cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 142507997
cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 142508055
4-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
CID 126842355
N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
CID 164732427
tert-butyl 3-[[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 122200799
tert-butyl 3-[[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 138985898
2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylic acid
CID 68647351
4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine
CID 156726497
N-methyl-N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 71113316
4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine
CID 59353593
tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 66863847

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The IUPAC name of oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (CID 142508014) is oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.
What is the SMILES notation for oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The canonical SMILES for oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is CC1(C)OB(c2cnc3c(c2)N(C(=O)OC2CCOCC2)CCO3)OC1(C)C.
What is the InChIKey of oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The InChIKey is OLXFUHGHDBHCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BN2O6/c1-18(2)19(3,4)28-20(27-18)13-11-15-16(21-12-13)25-10-7-22(15)17(23)26-14-5-8-24-9-6-14/h11-12,14H,5-10H2,1-4H3.
What are the key properties of oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate has a molecular weight of 390.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is sourced from PubChem (CID 142508014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).