2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid

C11H12N2O5 — CID 57314716

IUPAC2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid
SMILESCc1ncc(C2=CCCN(OC(=O)C(=O)O)C2)o1
InChIInChI=1S/C11H12N2O5/c1-7-12-5-9(17-7)8-3-2-4-13(6-8)18-11(16)10(14)15/h3,5H,2,4,6H2,1H3,(H,14,15)
InChIKeyDQZMHKVXZUVCMU-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.61
Rot. Bonds2

About 2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid

2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid (PubChem CID 57314716) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid
PubChem CID57314716
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid
SMILESCc1ncc(C2=CCCN(OC(=O)C(=O)O)C2)o1
InChIInChI=1S/C11H12N2O5/c1-7-12-5-9(17-7)8-3-2-4-13(6-8)18-11(16)10(14)15/h3,5H,2,4,6H2,1H3,(H,14,15)
InChIKeyDQZMHKVXZUVCMU-UHFFFAOYSA-N
XLogP0.61
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid?
The IUPAC name of 2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid (CID 57314716) is 2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid.
What is the SMILES notation for 2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid?
The canonical SMILES for 2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid is Cc1ncc(C2=CCCN(OC(=O)C(=O)O)C2)o1.
What is the InChIKey of 2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid?
The InChIKey is DQZMHKVXZUVCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-7-12-5-9(17-7)8-3-2-4-13(6-8)18-11(16)10(14)15/h3,5H,2,4,6H2,1H3,(H,14,15).
What are the key properties of 2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid?
2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid has a molecular weight of 252.23 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]oxy]-2-oxoacetic acid is sourced from PubChem (CID 57314716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).