methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate

C19H19N3O4 — CID 95394881

IUPACmethyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
InChIInChI=1S/C19H19N3O4/c1-11-9-14(16-12(2)22-26-18(16)20-11)17(23)21-15(19(24)25-3)10-13-7-5-4-6-8-13/h4-9,15H,10H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeySQXHEMMLVIATFA-OAHLLOKOSA-N
MW353.38 g/mol
LogP2.35
Rot. Bonds5

About methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate

methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate (PubChem CID 95394881) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate
PubChem CID95394881
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Namemethyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12
InChIInChI=1S/C19H19N3O4/c1-11-9-14(16-12(2)22-26-18(16)20-11)17(23)21-15(19(24)25-3)10-13-7-5-4-6-8-13/h4-9,15H,10H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeySQXHEMMLVIATFA-OAHLLOKOSA-N
XLogP2.35
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate with MolForge

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Related Compounds

(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363650
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822981
3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94631328
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
3-(3,4-dimethoxyphenyl)-3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 119135699
N-(1-hydroxy-3-methylpentan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171148123
methyl (2S)-2-[(3-benzyl-1,2-oxazole-5-carbonyl)amino]-3-phenylpropanoate
CID 42164387
methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate
CID 51072879
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940
N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32605719
3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 92626658
N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 124789083

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate (CID 95394881) is methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12.
What is the InChIKey of methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is SQXHEMMLVIATFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-9-14(16-12(2)22-26-18(16)20-11)17(23)21-15(19(24)25-3)10-13-7-5-4-6-8-13/h4-9,15H,10H2,1-3H3,(H,21,23)/t15-/m1/s1.
What are the key properties of methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate?
methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 353.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 95394881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).