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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Related Compounds

ethyl 2-(oxan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199495
ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate
CID 102525599
4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 104842551
ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
CID 80715218
ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
CID 159620918
ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842750
ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 116527049
methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate
CID 130058460
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate
CID 112707165
ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
CID 105441043
ethyl 4-methyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475005

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).