ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate

C10H14N2O4 — CID 66010377

IUPACethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCOC2)oc1N
InChIInChI=1S/C10H14N2O4/c1-2-15-10(13)7-8(11)16-9(12-7)6-3-4-14-5-6/h6H,2-5,11H2,1H3
InChIKeyIGXDZKSWVFURDK-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.94
Rot. Bonds3

About ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate

ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 66010377) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID66010377
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCOC2)oc1N
InChIInChI=1S/C10H14N2O4/c1-2-15-10(13)7-8(11)16-9(12-7)6-3-4-14-5-6/h6H,2-5,11H2,1H3
InChIKeyIGXDZKSWVFURDK-UHFFFAOYSA-N
XLogP0.94
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate (CID 66010377) is ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C2CCOC2)oc1N.
What is the InChIKey of ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is IGXDZKSWVFURDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-15-10(13)7-8(11)16-9(12-7)6-3-4-14-5-6/h6H,2-5,11H2,1H3.
What are the key properties of ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66010377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).