5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C10H13N5O — CID 104879912

IUPAC5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCn1cnc(-c2nc(C3CCCN3)no2)c1
InChIInChI=1S/C10H13N5O/c1-15-5-8(12-6-15)10-13-9(14-16-10)7-3-2-4-11-7/h5-7,11H,2-4H2,1H3
InChIKeyLVSJUHJZAUMUOW-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.89
Rot. Bonds2

About 5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 104879912) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID104879912
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCn1cnc(-c2nc(C3CCCN3)no2)c1
InChIInChI=1S/C10H13N5O/c1-15-5-8(12-6-15)10-13-9(14-16-10)7-3-2-4-11-7/h5-7,11H,2-4H2,1H3
InChIKeyLVSJUHJZAUMUOW-UHFFFAOYSA-N
XLogP0.89
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 65216136
5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317491
5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916819
6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 63748661
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 63317724
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314
3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole
CID 104541133
5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106753992
3-pyrrolidin-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
CID 65152589
5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104672075

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 104879912) is 5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is Cn1cnc(-c2nc(C3CCCN3)no2)c1.
What is the InChIKey of 5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is LVSJUHJZAUMUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15-5-8(12-6-15)10-13-9(14-16-10)7-3-2-4-11-7/h5-7,11H,2-4H2,1H3.
What are the key properties of 5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 219.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 104879912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).