5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole

C11H14N4O — CID 106422527

IUPAC5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole
SMILESc1cc(Cn2cncc2[C@@H]2CCCN2)on1
InChIInChI=1S/C11H14N4O/c1-2-10(13-4-1)11-6-12-8-15(11)7-9-3-5-14-16-9/h3,5-6,8,10,13H,1-2,4,7H2/t10-/m0/s1
InChIKeyACHGSZYSVHRNPM-JTQLQIEISA-N
MW218.26 g/mol
LogP1.34
Rot. Bonds3

About 5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole

5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 106422527) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID106422527
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole
SMILESc1cc(Cn2cncc2[C@@H]2CCCN2)on1
InChIInChI=1S/C11H14N4O/c1-2-10(13-4-1)11-6-12-8-15(11)7-9-3-5-14-16-9/h3,5-6,8,10,13H,1-2,4,7H2/t10-/m0/s1
InChIKeyACHGSZYSVHRNPM-JTQLQIEISA-N
XLogP1.34
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 106422518
4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377497
1-[2-(furan-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942485
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942995
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide
CID 104942020
5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole
CID 106291736
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole (CID 106422527) is 5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole is c1cc(Cn2cncc2[C@@H]2CCCN2)on1.
What is the InChIKey of 5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is ACHGSZYSVHRNPM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-10(13-4-1)11-6-12-8-15(11)7-9-3-5-14-16-9/h3,5-6,8,10,13H,1-2,4,7H2/t10-/m0/s1.
What are the key properties of 5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole?
5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 218.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 106422527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).