methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate

C18H17N3O5 — CID 26406157

IUPACmethyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1coc(COc2cccc3cccnc23)n1
InChIInChI=1S/C18H17N3O5/c1-24-16(22)7-9-20-18(23)13-10-26-15(21-13)11-25-14-6-2-4-12-5-3-8-19-17(12)14/h2-6,8,10H,7,9,11H2,1H3,(H,20,23)
InChIKeyLIJNEXWIWLVWBA-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.09
Rot. Bonds7

About methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate

methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate (PubChem CID 26406157) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
PubChem CID26406157
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Namemethyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1coc(COc2cccc3cccnc23)n1
InChIInChI=1S/C18H17N3O5/c1-24-16(22)7-9-20-18(23)13-10-26-15(21-13)11-25-14-6-2-4-12-5-3-8-19-17(12)14/h2-6,8,10H,7,9,11H2,1H3,(H,20,23)
InChIKeyLIJNEXWIWLVWBA-UHFFFAOYSA-N
XLogP2.09
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42516268
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95200568
N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95200229
N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45251660
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42189711
2-(isoquinolin-5-yloxymethyl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 42198455
N-[(3R)-3-hydroxybutyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95189225
N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42566769
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95209994
N-[2-(furan-2-yl)ethyl]-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42382062
2-(isoquinolin-5-yloxymethyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 42288089
(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 95552350

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate (CID 26406157) is methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate is COC(=O)CCNC(=O)c1coc(COc2cccc3cccnc23)n1.
What is the InChIKey of methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The InChIKey is LIJNEXWIWLVWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-24-16(22)7-9-20-18(23)13-10-26-15(21-13)11-25-14-6-2-4-12-5-3-8-19-17(12)14/h2-6,8,10H,7,9,11H2,1H3,(H,20,23).
What are the key properties of methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate has a molecular weight of 355.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 26406157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).