ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate

C11H9ClN2O3 — CID 15123599

IUPACethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccc(Cl)nc1
InChIInChI=1S/C11H9ClN2O3/c1-2-16-11(15)9-10(17-6-14-9)7-3-4-8(12)13-5-7/h3-6H,2H2,1H3
InChIKeyDEPSTJOSIASCRE-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.57
Rot. Bonds3

About ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate

ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate (PubChem CID 15123599) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate
PubChem CID15123599
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Nameethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccc(Cl)nc1
InChIInChI=1S/C11H9ClN2O3/c1-2-16-11(15)9-10(17-6-14-9)7-3-4-8(12)13-5-7/h3-6H,2H2,1H3
InChIKeyDEPSTJOSIASCRE-UHFFFAOYSA-N
XLogP2.57
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.57
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 ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate (CID 15123599) is ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1ccc(Cl)nc1.
What is the InChIKey of ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The InChIKey is DEPSTJOSIASCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-2-16-11(15)9-10(17-6-14-9)7-3-4-8(12)13-5-7/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate?
ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate has a molecular weight of 252.66 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 15123599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).