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

C12H12N2O3 — CID 101453001

IUPACethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cccnc2)nc1C
InChIInChI=1S/C12H12N2O3/c1-3-16-12(15)10-8(2)14-11(17-10)9-5-4-6-13-7-9/h4-7H,3H2,1-2H3
InChIKeyZNULGUZXDMXMHL-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.22
Rot. Bonds3

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

ethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate (PubChem CID 101453001) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate
PubChem CID101453001
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cccnc2)nc1C
InChIInChI=1S/C12H12N2O3/c1-3-16-12(15)10-8(2)14-11(17-10)9-5-4-6-13-7-9/h4-7H,3H2,1-2H3
InChIKeyZNULGUZXDMXMHL-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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Related Compounds

Methyl 5-oxo-5-(5-(pyridin-2-yl)oxazol-2-yl)pentanoate
CID 16735857
Methyl 6-oxo-6-(5-(pyridin-2-yl)oxazol-2-yl)hexanoate
CID 16737961
2-Methoxy-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoic acid
CID 11199906
2-Methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoic acid
CID 11234869
(Z)-1-(5-Pyridin-3-yl-oxazol-2-yl)-octadec-9-en-1-one
CID 11246876
Methyl 2-(2-(7-phenylheptanoyl)oxazol-5-yl)nicotinate
CID 16110712
Methyl 6-(2-(7-phenylheptanoyl)oxazol-5-yl)nicotinate
CID 16110713
Methyl 6-(2-(3-(4-phenoxyphenyl)propanoyl)oxazol-5-yl)pyridine-3-carboxylate
CID 24800000
Methyl 6-(2-(3-(4-(phenoxymethyl)phenyl)propanoyl)oxazol-5-yl)pyridine-3-carboxylate
CID 24800519
2-Ethoxy-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoic acid
CID 44419776
Methyl 4-oxo-4-(5-(pyridin-2-yl)oxazol-2-yl)butanoate
CID 16737960
(S)-2-methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoic acid
CID 42604838

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate (CID 101453001) is ethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2cccnc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate?
The InChIKey is ZNULGUZXDMXMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-16-12(15)10-8(2)14-11(17-10)9-5-4-6-13-7-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate?
ethyl 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-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 4-methyl-2-pyridin-3-yl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 101453001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).