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

C12H12N2O3 — CID 165454720

IUPAC5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCCCc1onc(-c2ccccn2)c1C(=O)O
InChIInChI=1S/C12H12N2O3/c1-2-5-9-10(12(15)16)11(14-17-9)8-6-3-4-7-13-8/h3-4,6-7H,2,5H2,1H3,(H,15,16)
InChIKeyQQVNBGGXIKBLQC-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.39
Rot. Bonds4

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

5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 165454720) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID165454720
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCCCc1onc(-c2ccccn2)c1C(=O)O
InChIInChI=1S/C12H12N2O3/c1-2-5-9-10(12(15)16)11(14-17-9)8-6-3-4-7-13-8/h3-4,6-7H,2,5H2,1H3,(H,15,16)
InChIKeyQQVNBGGXIKBLQC-UHFFFAOYSA-N
XLogP2.39
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid
CID 165454721
5-(naphthalene-1-carbonylamino)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
CID 142773824
N-propanoyl-5-(propanoylamino)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 5304260
5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid
CID 18790859
4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 82471218
4,5-dipropyl-3,6-dipyridin-2-ylpyridazine
CID 58250586
methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 58062816
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 66643567
3-propyl-5-pyridin-2-yl-1,2-oxazole
CID 89181281
2,6-difluoro-4-pyridin-2-ylbenzoic acid
CID 176582239
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 42630170

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid (CID 165454720) is 5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid is CCCc1onc(-c2ccccn2)c1C(=O)O.
What is the InChIKey of 5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is QQVNBGGXIKBLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-5-9-10(12(15)16)11(14-17-9)8-6-3-4-7-13-8/h3-4,6-7H,2,5H2,1H3,(H,15,16).
What are the key properties of 5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid?
5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 165454720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).