methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate

C11H10N2O3 — CID 154791548

IUPACmethyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C)ccn2)on1
InChIInChI=1S/C11H10N2O3/c1-7-3-4-12-8(5-7)10-6-9(13-16-10)11(14)15-2/h3-6H,1-2H3
InChIKeyOPDCDQDPFWNXBR-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.83
Rot. Bonds2

About methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate

methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate (PubChem CID 154791548) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate
PubChem CID154791548
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C)ccn2)on1
InChIInChI=1S/C11H10N2O3/c1-7-3-4-12-8(5-7)10-6-9(13-16-10)11(14)15-2/h3-6H,1-2H3
InChIKeyOPDCDQDPFWNXBR-UHFFFAOYSA-N
XLogP1.83
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate (CID 154791548) is methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2cc(C)ccn2)on1.
What is the InChIKey of methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate?
The InChIKey is OPDCDQDPFWNXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-3-4-12-8(5-7)10-6-9(13-16-10)11(14)15-2/h3-6H,1-2H3.
What are the key properties of methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate?
methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154791548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).