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

C17H14N2O3 — CID 167565849

IUPAC5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid
SMILESCc1ccc(-c2coc(Cc3ccc(C(=O)O)nc3)n2)cc1
InChIInChI=1S/C17H14N2O3/c1-11-2-5-13(6-3-11)15-10-22-16(19-15)8-12-4-7-14(17(20)21)18-9-12/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyHWQLLSRNHQFQNG-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.33
Rot. Bonds4

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

5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 167565849) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid
PubChem CID167565849
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid
SMILESCc1ccc(-c2coc(Cc3ccc(C(=O)O)nc3)n2)cc1
InChIInChI=1S/C17H14N2O3/c1-11-2-5-13(6-3-11)15-10-22-16(19-15)8-12-4-7-14(17(20)21)18-9-12/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyHWQLLSRNHQFQNG-UHFFFAOYSA-N
XLogP3.33
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 176989464
2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084165
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084172
5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid
CID 22748807
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
[2-amino-2-(hydroxymethyl)-4-[4-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]phenyl]butyl] dihydrogen phosphate
CID 118716151
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
2-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-sulfanylacetic acid
CID 21408287
5-methylpyrazine-2-carboxylic acid;1,4-xylene
CID 174881923
2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid
CID 139222040

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid (CID 167565849) is 5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid is Cc1ccc(-c2coc(Cc3ccc(C(=O)O)nc3)n2)cc1.
What is the InChIKey of 5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is HWQLLSRNHQFQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-2-5-13(6-3-11)15-10-22-16(19-15)8-12-4-7-14(17(20)21)18-9-12/h2-7,9-10H,8H2,1H3,(H,20,21).
What are the key properties of 5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid?
5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 167565849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).