ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate

C10H9N3O3 — CID 168859081

IUPACethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ncccn1
InChIInChI=1S/C10H9N3O3/c1-2-15-10(14)7-8(16-6-13-7)9-11-4-3-5-12-9/h3-6H,2H2,1H3
InChIKeyOWHHBYXEVBNBGI-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.31
Rot. Bonds3

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

ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 168859081) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
PubChem CID168859081
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Nameethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ncccn1
InChIInChI=1S/C10H9N3O3/c1-2-15-10(14)7-8(16-6-13-7)9-11-4-3-5-12-9/h3-6H,2H2,1H3
InChIKeyOWHHBYXEVBNBGI-UHFFFAOYSA-N
XLogP1.31
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 10846618
ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 107099722
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091
ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate
CID 79690999
ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 170887366
ethyl 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 2739543
ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 82891107
ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 175523587
ethyl 5-(4-chloro-2,5-difluorophenyl)-1,3-oxazole-4-carboxylate
CID 82771967
ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate
CID 164562760

Frequently Asked Questions

What is the IUPAC name of ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate (CID 168859081) is ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1ncccn1.
What is the InChIKey of ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is OWHHBYXEVBNBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-2-15-10(14)7-8(16-6-13-7)9-11-4-3-5-12-9/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate?
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 168859081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).