methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate

C18H15ClN2O4 — CID 42629330

IUPACmethyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2C)nc1
InChIInChI=1S/C18H15ClN2O4/c1-11-15(17(21-25-11)12-3-6-14(19)7-4-12)10-24-16-8-5-13(9-20-16)18(22)23-2/h3-9H,10H2,1-2H3
InChIKeyQHPJCADMROVZOO-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.06
Rot. Bonds5

About methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate

methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate (PubChem CID 42629330) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
PubChem CID42629330
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Namemethyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2C)nc1
InChIInChI=1S/C18H15ClN2O4/c1-11-15(17(21-25-11)12-3-6-14(19)7-4-12)10-24-16-8-5-13(9-20-16)18(22)23-2/h3-9H,10H2,1-2H3
InChIKeyQHPJCADMROVZOO-UHFFFAOYSA-N
XLogP4.06
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate (CID 42629330) is methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate is COC(=O)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2C)nc1.
What is the InChIKey of methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The InChIKey is QHPJCADMROVZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-11-15(17(21-25-11)12-3-6-14(19)7-4-12)10-24-16-8-5-13(9-20-16)18(22)23-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate has a molecular weight of 358.78 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 42629330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).