5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole

C19H22N4O2 — CID 68717820

IUPAC5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole
SMILESCOc1cc(C=Cc2noc(C(C)(C)C)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H22N4O2/c1-13-11-23(12-20-13)15-8-6-14(10-16(15)24-5)7-9-17-21-18(25-22-17)19(2,3)4/h6-12H,1-5H3
InChIKeyZPJLESBSDIMTLQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.04
Rot. Bonds4

About 5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole

5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole (PubChem CID 68717820) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole
PubChem CID68717820
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole
SMILESCOc1cc(C=Cc2noc(C(C)(C)C)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H22N4O2/c1-13-11-23(12-20-13)15-8-6-14(10-16(15)24-5)7-9-17-21-18(25-22-17)19(2,3)4/h6-12H,1-5H3
InChIKeyZPJLESBSDIMTLQ-UHFFFAOYSA-N
XLogP4.04
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole
CID 25004450
5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25004783
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-[(1S)-1-phenylethyl]-1H-1,2,4-triazole
CID 59299730
8-benzylidene-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
CID 76624821
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-methylprop-2-enamide
CID 142686276
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-1,2,4-triazole
CID 67607404
8-cyclopropyl-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839149
6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 68717315
(8R)-8-cyclohexyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-cyclohexyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 161065367
(5R)-5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299690

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole (CID 68717820) is 5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole is COc1cc(C=Cc2noc(C(C)(C)C)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole?
The InChIKey is ZPJLESBSDIMTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-11-23(12-20-13)15-8-6-14(10-16(15)24-5)7-9-17-21-18(25-22-17)19(2,3)4/h6-12H,1-5H3.
What are the key properties of 5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole has a molecular weight of 338.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 68717820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).