(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C17H16N2O6 — CID 30096308

IUPAC(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc(C)nc3onc(C)c23)oc1C
InChIInChI=1S/C17H16N2O6/c1-8-5-13(14-9(2)19-25-15(14)18-8)17(21)23-7-11-6-12(10(3)24-11)16(20)22-4/h5-6H,7H2,1-4H3
InChIKeyMOBOYKNRWXGHFJ-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.88
Rot. Bonds4

About (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 30096308) has the molecular formula C17H16N2O6 and a molecular weight of 344.32 g/mol. Its IUPAC name is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID30096308
Molecular FormulaC17H16N2O6
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc(C)nc3onc(C)c23)oc1C
InChIInChI=1S/C17H16N2O6/c1-8-5-13(14-9(2)19-25-15(14)18-8)17(21)23-7-11-6-12(10(3)24-11)16(20)22-4/h5-6H,7H2,1-4H3
InChIKeyMOBOYKNRWXGHFJ-UHFFFAOYSA-N
XLogP2.88
TPSA104.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18132973
methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7625888
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
CID 18777229
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
(2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35732436
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581477
methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7993888
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707731
methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate
CID 30778475
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726770

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 30096308) is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(COC(=O)c2cc(C)nc3onc(C)c23)oc1C.
What is the InChIKey of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is MOBOYKNRWXGHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6/c1-8-5-13(14-9(2)19-25-15(14)18-8)17(21)23-7-11-6-12(10(3)24-11)16(20)22-4/h5-6H,7H2,1-4H3.
What are the key properties of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 344.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 30096308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).