3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid

C12H11N3O5 — CID 81445469

IUPAC3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid
SMILESCc1cc(NC(=O)COc2cnccc2C(=O)O)no1
InChIInChI=1S/C12H11N3O5/c1-7-4-10(15-20-7)14-11(16)6-19-9-5-13-3-2-8(9)12(17)18/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyCTQLEXWHGWMHMZ-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.09
Rot. Bonds5

About 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid

3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid (PubChem CID 81445469) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid
PubChem CID81445469
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC Name3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid
SMILESCc1cc(NC(=O)COc2cnccc2C(=O)O)no1
InChIInChI=1S/C12H11N3O5/c1-7-4-10(15-20-7)14-11(16)6-19-9-5-13-3-2-8(9)12(17)18/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyCTQLEXWHGWMHMZ-UHFFFAOYSA-N
XLogP1.09
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid
CID 81439330
3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 60910796
2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 80723767
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate
CID 47021954
2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7762657
N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 836456
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 115646253
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylacetamide
CID 110697404
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetamide
CID 95923162
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid (CID 81445469) is 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid is Cc1cc(NC(=O)COc2cnccc2C(=O)O)no1.
What is the InChIKey of 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid?
The InChIKey is CTQLEXWHGWMHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5/c1-7-4-10(15-20-7)14-11(16)6-19-9-5-13-3-2-8(9)12(17)18/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid?
3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid has a molecular weight of 277.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81445469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).