3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine

C17H16FN3O3 — CID 20910062

IUPAC3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(OC)c(-c2noc(Nc3ccc(C)c(F)c3)n2)c1
InChIInChI=1S/C17H16FN3O3/c1-10-4-5-11(8-14(10)18)19-17-20-16(21-24-17)13-9-12(22-2)6-7-15(13)23-3/h4-9H,1-3H3,(H,19,20,21)
InChIKeyYUYQJKSCTIZPFS-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.94
Rot. Bonds5

About 3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine

3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 20910062) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID20910062
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(OC)c(-c2noc(Nc3ccc(C)c(F)c3)n2)c1
InChIInChI=1S/C17H16FN3O3/c1-10-4-5-11(8-14(10)18)19-17-20-16(21-24-17)13-9-12(22-2)6-7-15(13)23-3/h4-9H,1-3H3,(H,19,20,21)
InChIKeyYUYQJKSCTIZPFS-UHFFFAOYSA-N
XLogP3.94
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 666363
N-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)amine
CID 20910080
N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 20952666
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 53299059
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71582800
3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71582801
3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 71686708
N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686710
1-(4-Methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 16031476
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 665621
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 665625

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine (CID 20910062) is 3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine is COc1ccc(OC)c(-c2noc(Nc3ccc(C)c(F)c3)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is YUYQJKSCTIZPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-10-4-5-11(8-14(10)18)19-17-20-16(21-24-17)13-9-12(22-2)6-7-15(13)23-3/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine?
3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 329.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20910062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).