ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate

C13H20N2O4 — CID 170720459

IUPACethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CC(C)(OC)C2)oc1CC
InChIInChI=1S/C13H20N2O4/c1-5-9-10(11(16)18-6-2)14-12(19-9)15-7-13(3,8-15)17-4/h5-8H2,1-4H3
InChIKeyZWNDGOJWNZSNND-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.64
Rot. Bonds5

About ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate

ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate (PubChem CID 170720459) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate
PubChem CID170720459
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CC(C)(OC)C2)oc1CC
InChIInChI=1S/C13H20N2O4/c1-5-9-10(11(16)18-6-2)14-12(19-9)15-7-13(3,8-15)17-4/h5-8H2,1-4H3
InChIKeyZWNDGOJWNZSNND-UHFFFAOYSA-N
XLogP1.64
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate
CID 170720274
Ethyl 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylate
CID 170720353
Ethyl 2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylate
CID 170720504
Ethyl 2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylate
CID 170720620
Ethyl 2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylate
CID 170720729
Ethyl 2-(3,3-diethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylate
CID 170720755
Butyl 2-(4-amino-3-ethoxypiperidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate
CID 68414279
butyl 2-[(3S,4R)-4-amino-3-ethoxypiperidin-1-yl]-5-ethyl-1,3-oxazole-4-carboxylate
CID 68414280
Butyl 2-(4-amino-3-propoxypiperidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate
CID 68415553
butyl 2-[(3S,4R)-4-amino-3-propoxypiperidin-1-yl]-5-ethyl-1,3-oxazole-4-carboxylate
CID 68415554
Butyl 2-(4-amino-3-methoxypiperidin-1-yl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 68415571
butyl 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 68415573

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate (CID 170720459) is ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(N2CC(C)(OC)C2)oc1CC.
What is the InChIKey of ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is ZWNDGOJWNZSNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-5-9-10(11(16)18-6-2)14-12(19-9)15-7-13(3,8-15)17-4/h5-8H2,1-4H3.
What are the key properties of ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 170720459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).