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

C14H11F3N4O — CID 43055663

IUPAC5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1nccn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C14H11F3N4O/c1-9-18-6-7-21(9)8-12-19-13(20-22-12)10-2-4-11(5-3-10)14(15,16)17/h2-7H,8H2,1H3
InChIKeyZXWGMKCNIDDFNC-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.31
Rot. Bonds3

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

5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 43055663) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID43055663
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1nccn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C14H11F3N4O/c1-9-18-6-7-21(9)8-12-19-13(20-22-12)10-2-4-11(5-3-10)14(15,16)17/h2-7H,8H2,1H3
InChIKeyZXWGMKCNIDDFNC-UHFFFAOYSA-N
XLogP3.31
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 43055663) is 5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Cc1nccn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is ZXWGMKCNIDDFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-9-18-6-7-21(9)8-12-19-13(20-22-12)10-2-4-11(5-3-10)14(15,16)17/h2-7H,8H2,1H3.
What are the key properties of 5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 308.26 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 43055663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).