[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C22H18N2O7 — CID 46681757

IUPAC[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1OC
InChIInChI=1S/C22H18N2O7/c1-12-20-14(10-15(17-5-4-8-29-17)23-21(20)31-24-12)22(26)30-11-16(25)13-6-7-18(27-2)19(9-13)28-3/h4-10H,11H2,1-3H3
InChIKeyXYMMCPKECDDGHN-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.85
Rot. Bonds7

About [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46681757) has the molecular formula C22H18N2O7 and a molecular weight of 422.39 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID46681757
Molecular FormulaC22H18N2O7
Molecular Weight422.39 g/mol
Exact Mass422.11
IUPAC Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1OC
InChIInChI=1S/C22H18N2O7/c1-12-20-14(10-15(17-5-4-8-29-17)23-21(20)31-24-12)22(26)30-11-16(25)13-6-7-18(27-2)19(9-13)28-3/h4-10H,11H2,1-3H3
InChIKeyXYMMCPKECDDGHN-UHFFFAOYSA-N
XLogP3.85
TPSA113.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825238
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35732647
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485597
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854585
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18132967
(1,3-dioxoisoindol-2-yl)methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682221
[2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682004
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682037
N-(5-acetamido-2-methoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17492785
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682070
6-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75405518
6-(furan-2-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51872509

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 46681757) is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is COc1ccc(C(=O)COC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is XYMMCPKECDDGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O7/c1-12-20-14(10-15(17-5-4-8-29-17)23-21(20)31-24-12)22(26)30-11-16(25)13-6-7-18(27-2)19(9-13)28-3/h4-10H,11H2,1-3H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 422.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46681757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).