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

C11H16N4O — CID 53164483

IUPAC5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1nc(C(C)C)no1
InChIInChI=1S/C11H16N4O/c1-4-9-12-5-6-15(9)7-10-13-11(8(2)3)14-16-10/h5-6,8H,4,7H2,1-3H3
InChIKeyYKCMHBWSTKNDCL-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.00
Rot. Bonds4

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

5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 53164483) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID53164483
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1nc(C(C)C)no1
InChIInChI=1S/C11H16N4O/c1-4-9-12-5-6-15(9)7-10-13-11(8(2)3)14-16-10/h5-6,8H,4,7H2,1-3H3
InChIKeyYKCMHBWSTKNDCL-UHFFFAOYSA-N
XLogP2.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 53164483) is 5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is CCc1nccn1Cc1nc(C(C)C)no1.
What is the InChIKey of 5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is YKCMHBWSTKNDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-9-12-5-6-15(9)7-10-13-11(8(2)3)14-16-10/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 220.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53164483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).