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

C10H8N2O3 — CID 767299

IUPACmethyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1conc1-c1ccccn1
InChIInChI=1S/C10H8N2O3/c1-14-10(13)7-6-15-12-9(7)8-4-2-3-5-11-8/h2-6H,1H3
InChIKeyBWGCOARLHONPOM-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.52
Rot. Bonds2

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

methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate (PubChem CID 767299) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
PubChem CID767299
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1conc1-c1ccccn1
InChIInChI=1S/C10H8N2O3/c1-14-10(13)7-6-15-12-9(7)8-4-2-3-5-11-8/h2-6H,1H3
InChIKeyBWGCOARLHONPOM-UHFFFAOYSA-N
XLogP1.52
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-methylphenyl)-1,2-oxazole-4-carboxylate
CID 870098
methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate
CID 6417972
methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
CID 66643655
methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate
CID 12789660
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
methyl 2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 70895318
methyl 3-methyl-1,2-oxazole-4-carboxylate
CID 5249569
methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870102
methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate
CID 175789553
N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 148741054
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate
CID 169144350

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate (CID 767299) is methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate is COC(=O)c1conc1-c1ccccn1.
What is the InChIKey of methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate?
The InChIKey is BWGCOARLHONPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-14-10(13)7-6-15-12-9(7)8-4-2-3-5-11-8/h2-6H,1H3.
What are the key properties of methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate?
methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 767299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).