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

C18H16N2O4 — CID 66599292

IUPACmethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1
InChIInChI=1S/C18H16N2O4/c1-12-15(17(20-24-12)13-6-4-3-5-7-13)11-23-16-9-8-14(10-19-16)18(21)22-2/h3-10H,11H2,1-2H3
InChIKeyOGSDZXPZNRYVRJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.41
Rot. Bonds5

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

methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate (PubChem CID 66599292) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
PubChem CID66599292
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namemethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1
InChIInChI=1S/C18H16N2O4/c1-12-15(17(20-24-12)13-6-4-3-5-7-13)11-23-16-9-8-14(10-19-16)18(21)22-2/h3-10H,11H2,1-2H3
InChIKeyOGSDZXPZNRYVRJ-UHFFFAOYSA-N
XLogP3.41
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate (CID 66599292) is methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate is COC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1.
What is the InChIKey of methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate?
The InChIKey is OGSDZXPZNRYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12-15(17(20-24-12)13-6-4-3-5-7-13)11-23-16-9-8-14(10-19-16)18(21)22-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate?
methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 66599292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).