methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate

C14H13BrN2O3 — CID 58119332

IUPACmethyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nc(C3CCC3)oc2Br)cn1
InChIInChI=1S/C14H13BrN2O3/c1-19-14(18)10-6-5-9(7-16-10)11-12(15)20-13(17-11)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyKXYYOIJQRODXOH-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.55
Rot. Bonds3

About methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate

methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate (PubChem CID 58119332) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate
PubChem CID58119332
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Namemethyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nc(C3CCC3)oc2Br)cn1
InChIInChI=1S/C14H13BrN2O3/c1-19-14(18)10-6-5-9(7-16-10)11-12(15)20-13(17-11)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyKXYYOIJQRODXOH-UHFFFAOYSA-N
XLogP3.55
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate (CID 58119332) is methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate is COC(=O)c1ccc(-c2nc(C3CCC3)oc2Br)cn1.
What is the InChIKey of methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate?
The InChIKey is KXYYOIJQRODXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-19-14(18)10-6-5-9(7-16-10)11-12(15)20-13(17-11)8-3-2-4-8/h5-8H,2-4H2,1H3.
What are the key properties of methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate?
methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate has a molecular weight of 337.17 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-bromo-2-cyclobutyl-1,3-oxazol-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 58119332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).