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

C18H19N3O4S — CID 52576468

IUPACmethyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12
InChIInChI=1S/C18H19N3O4S/c1-9-6-7-13(26-9)12-8-11(14-10(2)21-25-16(14)19-12)15(22)20-18(3,4)17(23)24-5/h6-8H,1-5H3,(H,20,22)
InChIKeyGZHYNAIEVPJMKB-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.25
Rot. Bonds4

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

methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate (PubChem CID 52576468) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
PubChem CID52576468
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Namemethyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12
InChIInChI=1S/C18H19N3O4S/c1-9-6-7-13(26-9)12-8-11(14-10(2)21-25-16(14)19-12)15(22)20-18(3,4)17(23)24-5/h6-8H,1-5H3,(H,20,22)
InChIKeyGZHYNAIEVPJMKB-UHFFFAOYSA-N
XLogP3.25
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate (CID 52576468) is methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12.
What is the InChIKey of methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate?
The InChIKey is GZHYNAIEVPJMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-9-6-7-13(26-9)12-8-11(14-10(2)21-25-16(14)19-12)15(22)20-18(3,4)17(23)24-5/h6-8H,1-5H3,(H,20,22).
What are the key properties of methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate?
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate has a molecular weight of 373.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 52576468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).