5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole

C11H16N4O — CID 115616737

IUPAC5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1ncn(Cc2nc(C(C)C)no2)c1C
InChIInChI=1S/C11H16N4O/c1-7(2)11-13-10(16-14-11)5-15-6-12-8(3)9(15)4/h6-7H,5H2,1-4H3
InChIKeyUTYWBVOTWGSTLY-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.05
Rot. Bonds3

About 5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 115616737) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID115616737
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1ncn(Cc2nc(C(C)C)no2)c1C
InChIInChI=1S/C11H16N4O/c1-7(2)11-13-10(16-14-11)5-15-6-12-8(3)9(15)4/h6-7H,5H2,1-4H3
InChIKeyUTYWBVOTWGSTLY-UHFFFAOYSA-N
XLogP2.05
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 115616737) is 5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1ncn(Cc2nc(C(C)C)no2)c1C.
What is the InChIKey of 5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is UTYWBVOTWGSTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(2)11-13-10(16-14-11)5-15-6-12-8(3)9(15)4/h6-7H,5H2,1-4H3.
What are the key properties of 5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 220.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115616737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).