ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate

C12H12N2O3 — CID 134996722

IUPACethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccn2)oc1C
InChIInChI=1S/C12H12N2O3/c1-3-16-12(15)10-8(2)17-11(14-10)9-6-4-5-7-13-9/h4-7H,3H2,1-2H3
InChIKeyFTNFNBHNVCYVCM-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.22
Rot. Bonds3

About ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate

ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 134996722) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate
PubChem CID134996722
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccn2)oc1C
InChIInChI=1S/C12H12N2O3/c1-3-16-12(15)10-8(2)17-11(14-10)9-6-4-5-7-13-9/h4-7H,3H2,1-2H3
InChIKeyFTNFNBHNVCYVCM-UHFFFAOYSA-N
XLogP2.22
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate (CID 134996722) is ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccn2)oc1C.
What is the InChIKey of ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is FTNFNBHNVCYVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-16-12(15)10-8(2)17-11(14-10)9-6-4-5-7-13-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate?
ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-pyridin-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 134996722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).