methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate

C21H17N3O5 — CID 44824411

IUPACmethyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c12
InChIInChI=1S/C21H17N3O5/c1-12-5-7-13(8-6-12)19-18-14(20(26)22-11-17(25)27-2)10-15(16-4-3-9-28-16)23-21(18)29-24-19/h3-10H,11H2,1-2H3,(H,22,26)
InChIKeyDXMFIDYIZGTAFC-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.36
Rot. Bonds5

About methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate

methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate (PubChem CID 44824411) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
PubChem CID44824411
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Namemethyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c12
InChIInChI=1S/C21H17N3O5/c1-12-5-7-13(8-6-12)19-18-14(20(26)22-11-17(25)27-2)10-15(16-4-3-9-28-16)23-21(18)29-24-19/h3-10H,11H2,1-2H3,(H,22,26)
InChIKeyDXMFIDYIZGTAFC-UHFFFAOYSA-N
XLogP3.36
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate (CID 44824411) is methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c12.
What is the InChIKey of methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The InChIKey is DXMFIDYIZGTAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-12-5-7-13(8-6-12)19-18-14(20(26)22-11-17(25)27-2)10-15(16-4-3-9-28-16)23-21(18)29-24-19/h3-10H,11H2,1-2H3,(H,22,26).
What are the key properties of methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate has a molecular weight of 391.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate is sourced from PubChem (CID 44824411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).