3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole

C21H24N2O2 — CID 143910181

IUPAC3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C(C)c3ccc(CC(C)C)cc3)n2)cc1
InChIInChI=1S/C21H24N2O2/c1-14(2)13-16-5-7-17(8-6-16)15(3)21-22-20(23-25-21)18-9-11-19(24-4)12-10-18/h5-12,14-15H,13H2,1-4H3
InChIKeyVEUXACMWRIAUAQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.10
Rot. Bonds6

About 3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole (PubChem CID 143910181) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole
PubChem CID143910181
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C(C)c3ccc(CC(C)C)cc3)n2)cc1
InChIInChI=1S/C21H24N2O2/c1-14(2)13-16-5-7-17(8-6-16)15(3)21-22-20(23-25-21)18-9-11-19(24-4)12-10-18/h5-12,14-15H,13H2,1-4H3
InChIKeyVEUXACMWRIAUAQ-UHFFFAOYSA-N
XLogP5.10
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 2741809
4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 25110130
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 2923172
2-amino-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66167737
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
1-(4-methoxyphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480574
fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 141345284
N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348679
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685787
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole (CID 143910181) is 3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole is COc1ccc(-c2noc(C(C)c3ccc(CC(C)C)cc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole?
The InChIKey is VEUXACMWRIAUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14(2)13-16-5-7-17(8-6-16)15(3)21-22-20(23-25-21)18-9-11-19(24-4)12-10-18/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole has a molecular weight of 336.44 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 143910181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).