methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C11H11ClN2O3 — CID 88958837

IUPACmethyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(c2cc(C)nc(Cl)c2)=N1
InChIInChI=1S/C11H11ClN2O3/c1-6-3-7(4-9(12)13-6)10-14-8(5-17-10)11(15)16-2/h3-4,8H,5H2,1-2H3
InChIKeyGTLCYIRLCFHXIE-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.36
Rot. Bonds2

About methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 88958837) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID88958837
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Namemethyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(c2cc(C)nc(Cl)c2)=N1
InChIInChI=1S/C11H11ClN2O3/c1-6-3-7(4-9(12)13-6)10-14-8(5-17-10)11(15)16-2/h3-4,8H,5H2,1-2H3
InChIKeyGTLCYIRLCFHXIE-UHFFFAOYSA-N
XLogP1.36
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 88958837) is methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1COC(c2cc(C)nc(Cl)c2)=N1.
What is the InChIKey of methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is GTLCYIRLCFHXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-6-3-7(4-9(12)13-6)10-14-8(5-17-10)11(15)16-2/h3-4,8H,5H2,1-2H3.
What are the key properties of methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 254.67 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 88958837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).