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

C13H18N4O — CID 106390497

IUPAC5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole
SMILESCc1cnc(C(C)n2cncc2C2CCCN2)o1
InChIInChI=1S/C13H18N4O/c1-9-6-16-13(18-9)10(2)17-8-14-7-12(17)11-4-3-5-15-11/h6-8,10-11,15H,3-5H2,1-2H3
InChIKeyBBHMJPKNGMGKHJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.21
Rot. Bonds3

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

5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole (PubChem CID 106390497) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole
PubChem CID106390497
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole
SMILESCc1cnc(C(C)n2cncc2C2CCCN2)o1
InChIInChI=1S/C13H18N4O/c1-9-6-16-13(18-9)10(2)17-8-14-7-12(17)11-4-3-5-15-11/h6-8,10-11,15H,3-5H2,1-2H3
InChIKeyBBHMJPKNGMGKHJ-UHFFFAOYSA-N
XLogP2.21
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942506
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114704559
2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704684
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
CID 104943583
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943720
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole
CID 114706396
2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706687

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole (CID 106390497) is 5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole is Cc1cnc(C(C)n2cncc2C2CCCN2)o1.
What is the InChIKey of 5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole?
The InChIKey is BBHMJPKNGMGKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-6-16-13(18-9)10(2)17-8-14-7-12(17)11-4-3-5-15-11/h6-8,10-11,15H,3-5H2,1-2H3.
What are the key properties of 5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole?
5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole has a molecular weight of 246.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole is sourced from PubChem (CID 106390497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).