3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole

C12H18N4O — CID 53193117

IUPAC3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(Cn2ccnc2C)no1
InChIInChI=1S/C12H18N4O/c1-4-10(5-2)12-14-11(15-17-12)8-16-7-6-13-9(16)3/h6-7,10H,4-5,8H2,1-3H3
InChIKeyRDCOBSWFKIAULX-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.53
Rot. Bonds5

About 3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole

3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole (PubChem CID 53193117) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole
PubChem CID53193117
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(Cn2ccnc2C)no1
InChIInChI=1S/C12H18N4O/c1-4-10(5-2)12-14-11(15-17-12)8-16-7-6-13-9(16)3/h6-7,10H,4-5,8H2,1-3H3
InChIKeyRDCOBSWFKIAULX-UHFFFAOYSA-N
XLogP2.53
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole (CID 53193117) is 3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole is CCC(CC)c1nc(Cn2ccnc2C)no1.
What is the InChIKey of 3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole?
The InChIKey is RDCOBSWFKIAULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-10(5-2)12-14-11(15-17-12)8-16-7-6-13-9(16)3/h6-7,10H,4-5,8H2,1-3H3.
What are the key properties of 3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole?
3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole has a molecular weight of 234.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylimidazol-1-yl)methyl]-5-pentan-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53193117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).