3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane

C32H28N8O4 — CID 158479499

IUPAC3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane
SMILESC.CCCCc1nc(-c2cccc(-c3noc(-c4cccc(-c5nc(-c6cccc(-c7noc(C)n7)c6)no5)c4)n3)c2)no1
InChIInChI=1S/C31H24N8O4.CH4/c1-3-4-14-25-33-27(37-41-25)20-9-6-11-22(16-20)29-35-31(43-39-29)24-13-7-12-23(17-24)30-34-28(38-42-30)21-10-5-8-19(15-21)26-32-18(2)40-36-26;/h5-13,15-17H,3-4,14H2,1-2H3;1H4
InChIKeyHHIRJJGMKAKDRK-UHFFFAOYSA-N
MW588.63 g/mol
LogP7.51
Rot. Bonds9

About 3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane

3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane (PubChem CID 158479499) has the molecular formula C32H28N8O4 and a molecular weight of 588.63 g/mol. Its IUPAC name is 3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane.

Molecular Properties

Compound Name3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane
PubChem CID158479499
Molecular FormulaC32H28N8O4
Molecular Weight588.63 g/mol
Exact Mass588.22
IUPAC Name3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane
SMILESC.CCCCc1nc(-c2cccc(-c3noc(-c4cccc(-c5nc(-c6cccc(-c7noc(C)n7)c6)no5)c4)n3)c2)no1
InChIInChI=1S/C31H24N8O4.CH4/c1-3-4-14-25-33-27(37-41-25)20-9-6-11-22(16-20)29-35-31(43-39-29)24-13-7-12-23(17-24)30-34-28(38-42-30)21-10-5-8-19(15-21)26-32-18(2)40-36-26;/h5-13,15-17H,3-4,14H2,1-2H3;1H4
InChIKeyHHIRJJGMKAKDRK-UHFFFAOYSA-N
XLogP7.51
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500588.63
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane with MolForge

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Related Compounds

3-[3,5-bis[5-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 59491909
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole
CID 133371723
4-[3-[3-[5-[3-[3-[3-[5-(4-prop-2-enoyloxybutyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]butyl prop-2-enoate
CID 59491853
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101299
3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole
CID 58044592
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
CID 170868647
4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine
CID 47983084
3-(3,4-dimethoxyphenyl)-5-heptyl-1,2,4-oxadiazole
CID 19658114
N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
CID 170866028

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane?
The IUPAC name of 3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane (CID 158479499) is 3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane.
What is the SMILES notation for 3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane?
The canonical SMILES for 3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane is C.CCCCc1nc(-c2cccc(-c3noc(-c4cccc(-c5nc(-c6cccc(-c7noc(C)n7)c6)no5)c4)n3)c2)no1.
What is the InChIKey of 3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane?
The InChIKey is HHIRJJGMKAKDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N8O4.CH4/c1-3-4-14-25-33-27(37-41-25)20-9-6-11-22(16-20)29-35-31(43-39-29)24-13-7-12-23(17-24)30-34-28(38-42-30)21-10-5-8-19(15-21)26-32-18(2)40-36-26;/h5-13,15-17H,3-4,14H2,1-2H3;1H4.
What are the key properties of 3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane?
3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane has a molecular weight of 588.63 g/mol, XLogP of 7.51, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane is sourced from PubChem (CID 158479499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).