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

C14H14N4O2 — CID 53193116

IUPAC5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(Cn3ccnc3C)no2)cc1
InChIInChI=1S/C14H14N4O2/c1-10-15-7-8-18(10)9-13-16-14(20-17-13)11-3-5-12(19-2)6-4-11/h3-8H,9H2,1-2H3
InChIKeyMKTSEXGMMLAXRP-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.30
Rot. Bonds4

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

5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 53193116) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID53193116
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(Cn3ccnc3C)no2)cc1
InChIInChI=1S/C14H14N4O2/c1-10-15-7-8-18(10)9-13-16-14(20-17-13)11-3-5-12(19-2)6-4-11/h3-8H,9H2,1-2H3
InChIKeyMKTSEXGMMLAXRP-UHFFFAOYSA-N
XLogP2.30
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 53193116) is 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole is COc1ccc(-c2nc(Cn3ccnc3C)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is MKTSEXGMMLAXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10-15-7-8-18(10)9-13-16-14(20-17-13)11-3-5-12(19-2)6-4-11/h3-8H,9H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53193116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).