6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid

C16H12ClN3O4 — CID 42630415

IUPAC6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
SMILESCc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)O)cn1
InChIInChI=1S/C16H12ClN3O4/c1-9-12(8-23-14-5-2-10(6-19-14)16(21)22)15(20-24-9)13-4-3-11(17)7-18-13/h2-7H,8H2,1H3,(H,21,22)
InChIKeyUROLFLUBHQHCOI-UHFFFAOYSA-N
MW345.74 g/mol
LogP3.37
Rot. Bonds5

About 6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid

6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid (PubChem CID 42630415) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is 6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
PubChem CID42630415
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC Name6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
SMILESCc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)O)cn1
InChIInChI=1S/C16H12ClN3O4/c1-9-12(8-23-14-5-2-10(6-19-14)16(21)22)15(20-24-9)13-4-3-11(17)7-18-13/h2-7H,8H2,1H3,(H,21,22)
InChIKeyUROLFLUBHQHCOI-UHFFFAOYSA-N
XLogP3.37
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid (CID 42630415) is 6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid is Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is UROLFLUBHQHCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c1-9-12(8-23-14-5-2-10(6-19-14)16(21)22)15(20-24-9)13-4-3-11(17)7-18-13/h2-7H,8H2,1H3,(H,21,22).
What are the key properties of 6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 345.74 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 42630415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).