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

C10H8N2O3 — CID 74891373

IUPACmethyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccncc2)on1
InChIInChI=1S/C10H8N2O3/c1-14-10(13)8-6-9(15-12-8)7-2-4-11-5-3-7/h2-6H,1H3
InChIKeyKMCQBXBORMBOTP-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.52
Rot. Bonds2

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

methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate (PubChem CID 74891373) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
PubChem CID74891373
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccncc2)on1
InChIInChI=1S/C10H8N2O3/c1-14-10(13)8-6-9(15-12-8)7-2-4-11-5-3-7/h2-6H,1H3
InChIKeyKMCQBXBORMBOTP-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 5-(4-methylsulfanylphenyl)-1,2-oxazole-3-carboxylate
CID 82627852
methyl 5-(3,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 154791625
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate
CID 154791681
methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate
CID 154791640
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate
CID 154791548
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119630359
methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate
CID 167777060
methyl 5-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791532
methyl 5-(4-hydroxy-3-nitrophenyl)-1,2-oxazole-3-carboxylate
CID 154791683

Frequently Asked Questions

What is the IUPAC name of methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate (CID 74891373) is methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccncc2)on1.
What is the InChIKey of methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate?
The InChIKey is KMCQBXBORMBOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-14-10(13)8-6-9(15-12-8)7-2-4-11-5-3-7/h2-6H,1H3.
What are the key properties of methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate?
methyl 5-pyridin-4-yl-1,2-oxazole-3-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 5-pyridin-4-yl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 74891373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).