3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid

C14H16N2O4 — CID 114938646

IUPAC3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2noc(CC(C)C)c2C(=O)O)cn1
InChIInChI=1S/C14H16N2O4/c1-8(2)6-10-12(14(17)18)13(16-20-10)9-4-5-11(19-3)15-7-9/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyCJVREZXFXUKCJI-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.64
Rot. Bonds5

About 3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid

3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 114938646) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid
PubChem CID114938646
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2noc(CC(C)C)c2C(=O)O)cn1
InChIInChI=1S/C14H16N2O4/c1-8(2)6-10-12(14(17)18)13(16-20-10)9-4-5-11(19-3)15-7-9/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyCJVREZXFXUKCJI-UHFFFAOYSA-N
XLogP2.64
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 106821235
3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385
6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid
CID 163318387
2-bromo-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 167489531
4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid
CID 23110249
2-(6-methoxy-3-pyridinyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 114938425
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368294
3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid
CID 114020568
5-[1-[(4-methoxyphenyl)methylamino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 162807901
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368231
[5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone
CID 122372234

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid (CID 114938646) is 3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid is COc1ccc(-c2noc(CC(C)C)c2C(=O)O)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is CJVREZXFXUKCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(2)6-10-12(14(17)18)13(16-20-10)9-4-5-11(19-3)15-7-9/h4-5,7-8H,6H2,1-3H3,(H,17,18).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid?
3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 114938646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).