[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C23H26N4O5 — CID 30765096

IUPAC[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)c2c(C)noc2n1
InChIInChI=1S/C23H26N4O5/c1-15-11-19(21-16(2)26-32-22(21)25-15)23(29)31-14-20(28)24-12-17-5-3-4-6-18(17)13-27-7-9-30-10-8-27/h3-6,11H,7-10,12-14H2,1-2H3,(H,24,28)
InChIKeyIQSJSKOXAASURT-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.15
Rot. Bonds7

About [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 30765096) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID30765096
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)c2c(C)noc2n1
InChIInChI=1S/C23H26N4O5/c1-15-11-19(21-16(2)26-32-22(21)25-15)23(29)31-14-20(28)24-12-17-5-3-4-6-18(17)13-27-7-9-30-10-8-27/h3-6,11H,7-10,12-14H2,1-2H3,(H,24,28)
InChIKeyIQSJSKOXAASURT-UHFFFAOYSA-N
XLogP2.15
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31787549
[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 30755132
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681787
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylpropanamide
CID 53278818
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485172
2-(2,3-dimethylphenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887006
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 92626658
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylmethoxyacetamide
CID 134015077
[2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485511

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 30765096) is [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1cc(C(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)c2c(C)noc2n1.
What is the InChIKey of [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is IQSJSKOXAASURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-15-11-19(21-16(2)26-32-22(21)25-15)23(29)31-14-20(28)24-12-17-5-3-4-6-18(17)13-27-7-9-30-10-8-27/h3-6,11H,7-10,12-14H2,1-2H3,(H,24,28).
What are the key properties of [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 438.48 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 30765096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).