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

C22H21N3O5S — CID 35732537

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(-c2cc(C(=O)OCC(=O)N(C)Cc3ccco3)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C22H21N3O5S/c1-12-8-16(14(3)31-12)18-9-17(20-13(2)24-30-21(20)23-18)22(27)29-11-19(26)25(4)10-15-6-5-7-28-15/h5-9H,10-11H2,1-4H3
InChIKeyWOHNXDSRTHXURX-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.28
Rot. Bonds6

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

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 35732537) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID35732537
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(-c2cc(C(=O)OCC(=O)N(C)Cc3ccco3)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C22H21N3O5S/c1-12-8-16(14(3)31-12)18-9-17(20-13(2)24-30-21(20)23-18)22(27)29-11-19(26)25(4)10-15-6-5-7-28-15/h5-9H,10-11H2,1-4H3
InChIKeyWOHNXDSRTHXURX-UHFFFAOYSA-N
XLogP4.28
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682109
(2,2-dichlorocyclopropyl)methyl 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18158226
N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119654946
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485066
ethyl 4-[[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]butanoate
CID 78831075
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 42983952
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682210
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681157
6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 136952574
6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119507261
6-(2,5-dimethylthiophen-3-yl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 146086514
[2-(diethylamino)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681591

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 35732537) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1cc(-c2cc(C(=O)OCC(=O)N(C)Cc3ccco3)c3c(C)noc3n2)c(C)s1.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is WOHNXDSRTHXURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-12-8-16(14(3)31-12)18-9-17(20-13(2)24-30-21(20)23-18)22(27)29-11-19(26)25(4)10-15-6-5-7-28-15/h5-9H,10-11H2,1-4H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 439.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 35732537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).