ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate

C7H10N2O3 — CID 12753431

IUPACethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(N)nc1C
InChIInChI=1S/C7H10N2O3/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3,(H2,8,9)
InChIKeyLACXTUNIUGNJDW-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.74
Rot. Bonds2

About ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate

ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate (PubChem CID 12753431) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate
PubChem CID12753431
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(N)nc1C
InChIInChI=1S/C7H10N2O3/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3,(H2,8,9)
InChIKeyLACXTUNIUGNJDW-UHFFFAOYSA-N
XLogP0.74
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate (CID 12753431) is ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(N)nc1C.
What is the InChIKey of ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is LACXTUNIUGNJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3,(H2,8,9).
What are the key properties of ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate?
ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 170.17 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 12753431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).