methyl 2-ethyl-1,3-oxazole-5-carboxylate

C7H9NO3 — CID 118990037

IUPACmethyl 2-ethyl-1,3-oxazole-5-carboxylate
SMILESCCc1ncc(C(=O)OC)o1
InChIInChI=1S/C7H9NO3/c1-3-6-8-4-5(11-6)7(9)10-2/h4H,3H2,1-2H3
InChIKeyIEOVNUUGXIVDHG-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.02
Rot. Bonds2

About methyl 2-ethyl-1,3-oxazole-5-carboxylate

methyl 2-ethyl-1,3-oxazole-5-carboxylate (PubChem CID 118990037) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl 2-ethyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-1,3-oxazole-5-carboxylate
PubChem CID118990037
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl 2-ethyl-1,3-oxazole-5-carboxylate
SMILESCCc1ncc(C(=O)OC)o1
InChIInChI=1S/C7H9NO3/c1-3-6-8-4-5(11-6)7(9)10-2/h4H,3H2,1-2H3
InChIKeyIEOVNUUGXIVDHG-UHFFFAOYSA-N
XLogP1.02
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate
CID 105441021
methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate
CID 131265035
2-(methoxymethyl)-N,N-dimethyl-1,3-oxazole-5-carboxamide
CID 123297278
methyl 5-propylpyrimidine-2-carboxylate
CID 162961445
ethyl 2-methyl-1,3-oxazole-5-carboxylate
CID 12639612
ethyl 2-(2-ethyl-1,3-oxazol-5-yl)acetate
CID 58201688
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-ethylpyridine-3-carboxylate
CID 5323747
2-ethyl-1,3-oxazole-5-carbaldehyde
CID 53417038
methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
CID 106371286
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
ethyl 2-formyl-1,3-oxazole-5-carboxylate
CID 119087702

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-ethyl-1,3-oxazole-5-carboxylate (CID 118990037) is methyl 2-ethyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-ethyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-ethyl-1,3-oxazole-5-carboxylate is CCc1ncc(C(=O)OC)o1.
What is the InChIKey of methyl 2-ethyl-1,3-oxazole-5-carboxylate?
The InChIKey is IEOVNUUGXIVDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-6-8-4-5(11-6)7(9)10-2/h4H,3H2,1-2H3.
What are the key properties of methyl 2-ethyl-1,3-oxazole-5-carboxylate?
methyl 2-ethyl-1,3-oxazole-5-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 118990037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).