5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid

C10H8N2O3 — CID 656040

IUPAC5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ccncc2)c1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-6-8(10(13)14)9(12-15-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,13,14)
InChIKeyWHOBCXXYJKABST-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.74
Rot. Bonds2

About 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid

5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 656040) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
PubChem CID656040
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ccncc2)c1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-6-8(10(13)14)9(12-15-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,13,14)
InChIKeyWHOBCXXYJKABST-UHFFFAOYSA-N
XLogP1.74
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
5-methyl-6-phenyl-3-(pyridin-4-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579326
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]({[(1E)-1-(pyridin-4-yl)ethylidene]amino}oxy)methanone
CID 5446268
N,5-dimethyl-3-phenyl-N-[2-(2-pyridinyl)ethyl]-4-isoxazolecarboxamide
CID 2814675
5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride
CID 205822
5-Methyl-3-(pyridin-2-yl)-1,2-oxazole-4-carboxylic acid
CID 3146138
(3,5-Dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 45488193
5-methyl-3-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 700880
5-(3-Pyridyl)isoxazole-3-carboxylic Acid
CID 16783455
5-(Pyridin-4-yl)-1,2-oxazole-3-carboxylic acid
CID 16793006
5-(Pyridin-2-yl)-1,2-oxazole-4-carboxylic acid
CID 22309070
5-(Pyridin-3-yl)-1,2-oxazole-4-carboxylic acid
CID 22309072

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid (CID 656040) is 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2ccncc2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is WHOBCXXYJKABST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-8(10(13)14)9(12-15-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,13,14).
What are the key properties of 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 656040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).