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

C14H13FN4O — CID 53193128

IUPAC3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN4O/c1-2-13-16-7-8-19(13)9-12-17-14(20-18-12)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3
InChIKeyLKUAOGNMFBRENP-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.68
Rot. Bonds4

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

3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 53193128) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID53193128
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN4O/c1-2-13-16-7-8-19(13)9-12-17-14(20-18-12)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3
InChIKeyLKUAOGNMFBRENP-UHFFFAOYSA-N
XLogP2.68
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.68
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-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole (CID 53193128) is 3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole is CCc1nccn1Cc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is LKUAOGNMFBRENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-2-13-16-7-8-19(13)9-12-17-14(20-18-12)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3.
What are the key properties of 3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole?
3-[(2-ethylimidazol-1-yl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 272.28 g/mol, XLogP of 2.68, 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-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53193128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).