3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline

C22H25N3O4 — CID 126808405

IUPAC3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline
SMILESCOC1(c2nc(-c3ccc(Oc4cccc(N(C)C)c4)cc3)no2)CCOCC1
InChIInChI=1S/C22H25N3O4/c1-25(2)17-5-4-6-19(15-17)28-18-9-7-16(8-10-18)20-23-21(29-24-20)22(26-3)11-13-27-14-12-22/h4-10,15H,11-14H2,1-3H3
InChIKeyWYAZOMOANUJPBR-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.25
Rot. Bonds6

About 3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline

3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline (PubChem CID 126808405) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline
PubChem CID126808405
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline
SMILESCOC1(c2nc(-c3ccc(Oc4cccc(N(C)C)c4)cc3)no2)CCOCC1
InChIInChI=1S/C22H25N3O4/c1-25(2)17-5-4-6-19(15-17)28-18-9-7-16(8-10-18)20-23-21(29-24-20)22(26-3)11-13-27-14-12-22/h4-10,15H,11-14H2,1-3H3
InChIKeyWYAZOMOANUJPBR-UHFFFAOYSA-N
XLogP4.25
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline with MolForge

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Related Compounds

5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole
CID 154870100
3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 167965704
[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440111
3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 154745636
N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 50769624
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
CID 120834711
N,N-dimethyl-3-(4-phenoxyphenyl)aniline
CID 57177626
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 91650423
5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 139002479
3-(bromomethyl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 164649560
(3S)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 99610904

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline (CID 126808405) is 3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline is COC1(c2nc(-c3ccc(Oc4cccc(N(C)C)c4)cc3)no2)CCOCC1.
What is the InChIKey of 3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline?
The InChIKey is WYAZOMOANUJPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-25(2)17-5-4-6-19(15-17)28-18-9-7-16(8-10-18)20-23-21(29-24-20)22(26-3)11-13-27-14-12-22/h4-10,15H,11-14H2,1-3H3.
What are the key properties of 3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline?
3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline has a molecular weight of 395.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline is sourced from PubChem (CID 126808405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).