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

C11H9ClN2O3 — CID 146220672

IUPACethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2Cl)on1
InChIInChI=1S/C11H9ClN2O3/c1-2-16-11(15)9-5-10(17-14-9)7-3-4-13-6-8(7)12/h3-6H,2H2,1H3
InChIKeyFIQAPZBWPHSWKH-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.57
Rot. Bonds3

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

ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate (PubChem CID 146220672) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate
PubChem CID146220672
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Nameethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2Cl)on1
InChIInChI=1S/C11H9ClN2O3/c1-2-16-11(15)9-5-10(17-14-9)7-3-4-13-6-8(7)12/h3-6H,2H2,1H3
InChIKeyFIQAPZBWPHSWKH-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

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Related Compounds

ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
ethyl 5-(2,6-dichloro-3-fluorophenyl)-1,2-oxazole-3-carboxylate
CID 154791538
ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
CID 23005595
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate
CID 5063334
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 1-chloro-2,6-naphthyridine-3-carboxylate
CID 166806607
ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate
CID 154791696
ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 53051791
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate (CID 146220672) is ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccncc2Cl)on1.
What is the InChIKey of ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate?
The InChIKey is FIQAPZBWPHSWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-2-16-11(15)9-5-10(17-14-9)7-3-4-13-6-8(7)12/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-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-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 146220672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).