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

C15H11N3O4 — CID 23110249

IUPAC4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)oc2-c2cccnc2)cn1
InChIInChI=1S/C15H11N3O4/c1-21-11-5-4-9(8-17-11)12-13(10-3-2-6-16-7-10)22-14(18-12)15(19)20/h2-8H,1H3,(H,19,20)
InChIKeyYSRQGMXTJIHTLW-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.51
Rot. Bonds4

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

4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid (PubChem CID 23110249) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid
PubChem CID23110249
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)oc2-c2cccnc2)cn1
InChIInChI=1S/C15H11N3O4/c1-21-11-5-4-9(8-17-11)12-13(10-3-2-6-16-7-10)22-14(18-12)15(19)20/h2-8H,1H3,(H,19,20)
InChIKeyYSRQGMXTJIHTLW-UHFFFAOYSA-N
XLogP2.51
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 141107611
methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate
CID 46317643
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
CID 71181256
2-(6-methoxy-3-pyridinyl)-N,N-dimethylpyridine-3-carboxamide
CID 122569110
5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid
CID 142713735
[4-[2-(difluoromethyl)-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenyl] butanoate
CID 90710946
3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid
CID 114938646
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
5-pyridin-3-yl-1,3-oxazole-4-carboxylic acid
CID 28875589
methyl 4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzoate
CID 71099937
5-methoxy-2-pyridin-3-yl-1,3-oxazole
CID 19612509

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid (CID 23110249) is 4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid is COc1ccc(-c2nc(C(=O)O)oc2-c2cccnc2)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid?
The InChIKey is YSRQGMXTJIHTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-21-11-5-4-9(8-17-11)12-13(10-3-2-6-16-7-10)22-14(18-12)15(19)20/h2-8H,1H3,(H,19,20).
What are the key properties of 4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid?
4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 23110249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).