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

C13H18N4O — CID 106377497

IUPAC5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCc1cnc(Cn2cncc2C2CCCN2)o1
InChIInChI=1S/C13H18N4O/c1-2-10-6-16-13(18-10)8-17-9-14-7-12(17)11-4-3-5-15-11/h6-7,9,11,15H,2-5,8H2,1H3
InChIKeyNUBBNGSYNFMXTO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.91
Rot. Bonds4

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

5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 106377497) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID106377497
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCc1cnc(Cn2cncc2C2CCCN2)o1
InChIInChI=1S/C13H18N4O/c1-2-10-6-16-13(18-10)8-17-9-14-7-12(17)11-4-3-5-15-11/h6-7,9,11,15H,2-5,8H2,1H3
InChIKeyNUBBNGSYNFMXTO-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377495
5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 114180990
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
5-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 106422518
5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole
CID 106422527
4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole (CID 106377497) is 5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole is CCc1cnc(Cn2cncc2C2CCCN2)o1.
What is the InChIKey of 5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is NUBBNGSYNFMXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-10-6-16-13(18-10)8-17-9-14-7-12(17)11-4-3-5-15-11/h6-7,9,11,15H,2-5,8H2,1H3.
What are the key properties of 5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 246.31 g/mol, XLogP of 1.91, 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-2-ylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 106377497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).