methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate

C9H7N3O3 — CID 154791640

IUPACmethyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ncccn2)on1
InChIInChI=1S/C9H7N3O3/c1-14-9(13)6-5-7(15-12-6)8-10-3-2-4-11-8/h2-5H,1H3
InChIKeyFFOHUHMRWHVLFN-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.92
Rot. Bonds2

About methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate

methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate (PubChem CID 154791640) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate
PubChem CID154791640
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Namemethyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ncccn2)on1
InChIInChI=1S/C9H7N3O3/c1-14-9(13)6-5-7(15-12-6)8-10-3-2-4-11-8/h2-5H,1H3
InChIKeyFFOHUHMRWHVLFN-UHFFFAOYSA-N
XLogP0.92
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
CID 74891373
methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate
CID 154791548
methyl 5-(3,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 154791625
methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
CID 57362719
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
methyl 5-(4-methylsulfanylphenyl)-1,2-oxazole-3-carboxylate
CID 82627852
methyl 5-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791532
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
ethane;methyl 5-pyrimidin-2-yl-1H-pyrrole-3-carboxylate
CID 169144514
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate
CID 154791681

Frequently Asked Questions

What is the IUPAC name of methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate (CID 154791640) is methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ncccn2)on1.
What is the InChIKey of methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate?
The InChIKey is FFOHUHMRWHVLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-14-9(13)6-5-7(15-12-6)8-10-3-2-4-11-8/h2-5H,1H3.
What are the key properties of methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate?
methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate has a molecular weight of 205.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154791640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).