6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid

C11H12N2O4 — CID 70811457

IUPAC6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)ccc1C1CN=C(C)O1
InChIInChI=1S/C11H12N2O4/c1-6-12-5-9(17-6)7-3-4-8(11(14)15)13-10(7)16-2/h3-4,9H,5H2,1-2H3,(H,14,15)
InChIKeyFSGBIDDAZVVJEL-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.28
Rot. Bonds3

About 6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid

6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid (PubChem CID 70811457) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid
PubChem CID70811457
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)ccc1C1CN=C(C)O1
InChIInChI=1S/C11H12N2O4/c1-6-12-5-9(17-6)7-3-4-8(11(14)15)13-10(7)16-2/h3-4,9H,5H2,1-2H3,(H,14,15)
InChIKeyFSGBIDDAZVVJEL-UHFFFAOYSA-N
XLogP1.28
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid (CID 70811457) is 6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid is COc1nc(C(=O)O)ccc1C1CN=C(C)O1.
What is the InChIKey of 6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid?
The InChIKey is FSGBIDDAZVVJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-6-12-5-9(17-6)7-3-4-8(11(14)15)13-10(7)16-2/h3-4,9H,5H2,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid?
6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 70811457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).