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

C14H14N4O — CID 53193142

IUPAC3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-2-13-15-8-9-18(13)10-12-16-14(19-17-12)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyUCDMRKDTOLSJAI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.54
Rot. Bonds4

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

3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 53193142) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID53193142
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-2-13-15-8-9-18(13)10-12-16-14(19-17-12)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyUCDMRKDTOLSJAI-UHFFFAOYSA-N
XLogP2.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole (CID 53193142) is 3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole is CCc1nccn1Cc1noc(-c2ccccc2)n1.
What is the InChIKey of 3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is UCDMRKDTOLSJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-13-15-8-9-18(13)10-12-16-14(19-17-12)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of 3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole?
3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 53193142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).