(4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C21H18N2O5 — CID 18145006

IUPAC(4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOc1ccc(OC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1
InChIInChI=1S/C21H18N2O5/c1-11-9-16(13(3)26-11)18-10-17(19-12(2)23-28-20(19)22-18)21(24)27-15-7-5-14(25-4)6-8-15/h5-10H,1-4H3
InChIKeyDLZXEOHPBNSYPH-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.64
Rot. Bonds4

About (4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

(4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 18145006) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is (4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID18145006
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name(4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOc1ccc(OC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1
InChIInChI=1S/C21H18N2O5/c1-11-9-16(13(3)26-11)18-10-17(19-12(2)23-28-20(19)22-18)21(24)27-15-7-5-14(25-4)6-8-15/h5-10H,1-4H3
InChIKeyDLZXEOHPBNSYPH-UHFFFAOYSA-N
XLogP4.64
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42089730
6-(2,5-dimethylfuran-3-yl)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
phenyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24603258
[2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485511
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485514
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119349124
3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119351483
methyl 7-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]heptanoate
CID 36624558
[2-oxo-2-(pentylamino)ethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35733201
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-phenoxyethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32934602
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 18145006) is (4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is COc1ccc(OC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1.
What is the InChIKey of (4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is DLZXEOHPBNSYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-11-9-16(13(3)26-11)18-10-17(19-12(2)23-28-20(19)22-18)21(24)27-15-7-5-14(25-4)6-8-15/h5-10H,1-4H3.
What are the key properties of (4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
(4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 378.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 18145006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).