5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole

C13H18N4O — CID 114180990

IUPAC5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCc1cnc(Cn2cncc2C2CCNC2)o1
InChIInChI=1S/C13H18N4O/c1-2-11-6-16-13(18-11)8-17-9-15-7-12(17)10-3-4-14-5-10/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyYZSPLWXCGHNJEV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.56
Rot. Bonds4

About 5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole

5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 114180990) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID114180990
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCc1cnc(Cn2cncc2C2CCNC2)o1
InChIInChI=1S/C13H18N4O/c1-2-11-6-16-13(18-11)8-17-9-15-7-12(17)10-3-4-14-5-10/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyYZSPLWXCGHNJEV-UHFFFAOYSA-N
XLogP1.56
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole 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

5-ethyl-2-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377495
5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377497
1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
CID 114720604
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377569
1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
CID 106194342
1-ethyl-4-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]piperidine
CID 114719115
1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole
CID 114117594
3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 114705195
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377508

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole (CID 114180990) is 5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole is CCc1cnc(Cn2cncc2C2CCNC2)o1.
What is the InChIKey of 5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is YZSPLWXCGHNJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-11-6-16-13(18-11)8-17-9-15-7-12(17)10-3-4-14-5-10/h6-7,9-10,14H,2-5,8H2,1H3.
What are the key properties of 5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole?
5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 246.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 114180990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).