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

C14H14N4O — CID 53015255

IUPAC3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(Cn2ccnc2C)no1
InChIInChI=1S/C14H14N4O/c1-10-5-3-4-6-12(10)14-16-13(17-19-14)9-18-8-7-15-11(18)2/h3-8H,9H2,1-2H3
InChIKeyHNNIQJYFOFUYPR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.60
Rot. Bonds3

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

3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 53015255) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID53015255
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(Cn2ccnc2C)no1
InChIInChI=1S/C14H14N4O/c1-10-5-3-4-6-12(10)14-16-13(17-19-14)9-18-8-7-15-11(18)2/h3-8H,9H2,1-2H3
InChIKeyHNNIQJYFOFUYPR-UHFFFAOYSA-N
XLogP2.60
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.60
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-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole (CID 53015255) is 3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1nc(Cn2ccnc2C)no1.
What is the InChIKey of 3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is HNNIQJYFOFUYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-5-3-4-6-12(10)14-16-13(17-19-14)9-18-8-7-15-11(18)2/h3-8H,9H2,1-2H3.
What are the key properties of 3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
3-[(2-methylimidazol-1-yl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 2.60, 3 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-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53015255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).