5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole

C24H22N2O4 — CID 83287381

IUPAC5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3ccc(OCc4cccc(C)c4)cc3)no2)c1
InChIInChI=1S/C24H22N2O4/c1-16-5-4-6-17(11-16)15-29-20-9-7-18(8-10-20)23-25-24(30-26-23)19-12-21(27-2)14-22(13-19)28-3/h4-14H,15H2,1-3H3
InChIKeyPNXAWHZRVMRZHR-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.31
Rot. Bonds7

About 5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole

5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 83287381) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
PubChem CID83287381
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3ccc(OCc4cccc(C)c4)cc3)no2)c1
InChIInChI=1S/C24H22N2O4/c1-16-5-4-6-17(11-16)15-29-20-9-7-18(8-10-20)23-25-24(30-26-23)19-12-21(27-2)14-22(13-19)28-3/h4-14H,15H2,1-3H3
InChIKeyPNXAWHZRVMRZHR-UHFFFAOYSA-N
XLogP5.31
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 42851492
5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 42851376
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide
CID 46461382
5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 42851419
5-[4-[(4-methoxyphenoxy)methyl]phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19330837
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
3-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008157
5-(4-methylphenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044094
3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 83287388
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole (CID 83287381) is 5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole is COc1cc(OC)cc(-c2nc(-c3ccc(OCc4cccc(C)c4)cc3)no2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is PNXAWHZRVMRZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-16-5-4-6-17(11-16)15-29-20-9-7-18(8-10-20)23-25-24(30-26-23)19-12-21(27-2)14-22(13-19)28-3/h4-14H,15H2,1-3H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole?
5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 402.45 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 83287381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).