ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate

C10H13NO3 — CID 89415647

IUPACethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1coc(C)n1
InChIInChI=1S/C10H13NO3/c1-3-13-10(12)8-4-7(8)9-5-14-6(2)11-9/h5,7-8H,3-4H2,1-2H3
InChIKeyJEIUUTZHXYBSBU-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.65
Rot. Bonds3

About ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate

ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate (PubChem CID 89415647) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate
PubChem CID89415647
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1coc(C)n1
InChIInChI=1S/C10H13NO3/c1-3-13-10(12)8-4-7(8)9-5-14-6(2)11-9/h5,7-8H,3-4H2,1-2H3
InChIKeyJEIUUTZHXYBSBU-UHFFFAOYSA-N
XLogP1.65
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate
CID 118432884
trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 142405028
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
ethyl 2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 153293789
ethyl 2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylate
CID 135262621
trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate
CID 142405041
trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
CID 129268949
trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
CID 118512749
[(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol
CID 89417312
ethyl 2-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylate
CID 87938295
ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
CID 171735423

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate (CID 89415647) is ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1coc(C)n1.
What is the InChIKey of ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate?
The InChIKey is JEIUUTZHXYBSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-13-10(12)8-4-7(8)9-5-14-6(2)11-9/h5,7-8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate?
ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 89415647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).