methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate

C22H25N3O4 — CID 55818810

IUPACmethyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12
InChIInChI=1S/C22H25N3O4/c1-14(2)13-25(11-10-19(26)28-4)22(27)17-12-18(16-8-6-5-7-9-16)23-21-20(17)15(3)24-29-21/h5-9,12,14H,10-11,13H2,1-4H3
InChIKeyVEIGVADETKSAJF-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.86
Rot. Bonds7

About methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate

methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate (PubChem CID 55818810) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
PubChem CID55818810
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Namemethyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12
InChIInChI=1S/C22H25N3O4/c1-14(2)13-25(11-10-19(26)28-4)22(27)17-12-18(16-8-6-5-7-9-16)23-21-20(17)15(3)24-29-21/h5-9,12,14H,10-11,13H2,1-4H3
InChIKeyVEIGVADETKSAJF-UHFFFAOYSA-N
XLogP3.86
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate with MolForge

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Related Compounds

N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97185405
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18207668
methyl 2-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 60621435
methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate
CID 30778475
N-(2-methoxyethyl)-1,3-dimethyl-N-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32954817
[2-(diethylamino)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681591
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
3-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524366
propyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46542963
2-hydroxyethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 71943087
N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134061039
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 39976233

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate (CID 55818810) is methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12.
What is the InChIKey of methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate?
The InChIKey is VEIGVADETKSAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(2)13-25(11-10-19(26)28-4)22(27)17-12-18(16-8-6-5-7-9-16)23-21-20(17)15(3)24-29-21/h5-9,12,14H,10-11,13H2,1-4H3.
What are the key properties of methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate?
methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate has a molecular weight of 395.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 55818810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).