ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate

C16H16ClN3O4 — CID 162733993

IUPACethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCN(Cc3ccccc3Cl)C2=O)n1
InChIInChI=1S/C16H16ClN3O4/c1-2-23-14(21)13-10-24-15(18-13)20-8-7-19(16(20)22)9-11-5-3-4-6-12(11)17/h3-6,10H,2,7-9H2,1H3
InChIKeyLXLLMJDTMXWIRQ-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.95
Rot. Bonds5

About ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate (PubChem CID 162733993) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate
PubChem CID162733993
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Nameethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCN(Cc3ccccc3Cl)C2=O)n1
InChIInChI=1S/C16H16ClN3O4/c1-2-23-14(21)13-10-24-15(18-13)20-8-7-19(16(20)22)9-11-5-3-4-6-12(11)17/h3-6,10H,2,7-9H2,1H3
InChIKeyLXLLMJDTMXWIRQ-UHFFFAOYSA-N
XLogP2.95
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate (CID 162733993) is ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCN(Cc3ccccc3Cl)C2=O)n1.
What is the InChIKey of ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is LXLLMJDTMXWIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-2-23-14(21)13-10-24-15(18-13)20-8-7-19(16(20)22)9-11-5-3-4-6-12(11)17/h3-6,10H,2,7-9H2,1H3.
What are the key properties of ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 349.77 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 162733993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).