ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate

C12H14N2O3 — CID 178133998

IUPACethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
SMILESCC.COC(=O)c1cc(-c2ccccn2)on1
InChIInChI=1S/C10H8N2O3.C2H6/c1-14-10(13)8-6-9(15-12-8)7-4-2-3-5-11-7;1-2/h2-6H,1H3;1-2H3
InChIKeyRJPSFIZSEBZHOW-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.55
Rot. Bonds2

About ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate

ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate (PubChem CID 178133998) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
PubChem CID178133998
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
SMILESCC.COC(=O)c1cc(-c2ccccn2)on1
InChIInChI=1S/C10H8N2O3.C2H6/c1-14-10(13)8-6-9(15-12-8)7-4-2-3-5-11-7;1-2/h2-6H,1H3;1-2H3
InChIKeyRJPSFIZSEBZHOW-UHFFFAOYSA-N
XLogP2.55
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate
CID 154791640
methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate
CID 154791548
N-ethyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 155273411
methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
CID 74891373
methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
CID 57362719
ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole
CID 144804374
methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate
CID 12789660
methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
CID 767299
(5-pyridin-2-yl-1,2-oxazol-3-yl)methanediol
CID 155273393
methyl 5-(3,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 154791625
methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
CID 135496844
methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate
CID 169144350

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate (CID 178133998) is ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate is CC.COC(=O)c1cc(-c2ccccn2)on1.
What is the InChIKey of ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate?
The InChIKey is RJPSFIZSEBZHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3.C2H6/c1-14-10(13)8-6-9(15-12-8)7-4-2-3-5-11-7;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate?
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 178133998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).