[2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C22H23N3O4 — CID 18132933

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1cc(C2CC2)nc2onc(C)c12
InChIInChI=1S/C22H23N3O4/c1-3-25(12-15-7-5-4-6-8-15)19(26)13-28-22(27)17-11-18(16-9-10-16)23-21-20(17)14(2)24-29-21/h4-8,11,16H,3,9-10,12-13H2,1-2H3
InChIKeyXSDFBXHIMWLZIZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.61
Rot. Bonds7

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 18132933) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID18132933
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1cc(C2CC2)nc2onc(C)c12
InChIInChI=1S/C22H23N3O4/c1-3-25(12-15-7-5-4-6-8-15)19(26)13-28-22(27)17-11-18(16-9-10-16)23-21-20(17)14(2)24-29-21/h4-8,11,16H,3,9-10,12-13H2,1-2H3
InChIKeyXSDFBXHIMWLZIZ-UHFFFAOYSA-N
XLogP3.61
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46694891
[2-(diethylamino)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681591
2-benzoyloxyethyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 43056538
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 51868591
(3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680804
[2-oxo-2-(4-phenylanilino)ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681326
6-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30212940
6-cyclopropyl-N-ethyl-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821919
(2-oxo-2-phenothiazin-10-ylethyl) 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35871160
[1-(benzylamino)-1-oxopropan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680864
6-cyclopropyl-N-ethyl-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94822825
[2-(3-chloroanilino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680882

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 18132933) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(C2CC2)nc2onc(C)c12.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is XSDFBXHIMWLZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-25(12-15-7-5-4-6-8-15)19(26)13-28-22(27)17-11-18(16-9-10-16)23-21-20(17)14(2)24-29-21/h4-8,11,16H,3,9-10,12-13H2,1-2H3.
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 18132933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).