6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid

C14H15N3O4 — CID 154766261

IUPAC6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCc1nocc1CN(C)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C14H15N3O4/c1-3-10-9(8-21-16-10)7-17(2)13(18)11-5-4-6-12(15-11)14(19)20/h4-6,8H,3,7H2,1-2H3,(H,19,20)
InChIKeyWESYSHOMJMUAQD-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.60
Rot. Bonds5

About 6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid

6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 154766261) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID154766261
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCc1nocc1CN(C)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C14H15N3O4/c1-3-10-9(8-21-16-10)7-17(2)13(18)11-5-4-6-12(15-11)14(19)20/h4-6,8H,3,7H2,1-2H3,(H,19,20)
InChIKeyWESYSHOMJMUAQD-UHFFFAOYSA-N
XLogP1.60
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid (CID 154766261) is 6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid is CCc1nocc1CN(C)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WESYSHOMJMUAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-10-9(8-21-16-10)7-17(2)13(18)11-5-4-6-12(15-11)14(19)20/h4-6,8H,3,7H2,1-2H3,(H,19,20).
What are the key properties of 6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 154766261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).