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

C16H14FN3O3 — CID 20952666

IUPACN-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3F)no2)cc1OC
InChIInChI=1S/C16H14FN3O3/c1-21-13-8-7-10(9-14(13)22-2)18-16-19-15(20-23-16)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyMSJKFETUICKZJA-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.64
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 20952666) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
PubChem CID20952666
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3F)no2)cc1OC
InChIInChI=1S/C16H14FN3O3/c1-21-13-8-7-10(9-14(13)22-2)18-16-19-15(20-23-16)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyMSJKFETUICKZJA-UHFFFAOYSA-N
XLogP3.64
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{3-[4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-phenyl}-acetamide
CID 655521
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3239217
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide
CID 3806837
N-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 16017926
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 53299059
N-(1,3-benzodioxol-5-yl)-N-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amine
CID 53299061
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
US11066396, Example 407
CID 132258749
1-(4-Methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 16031476

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (CID 20952666) is N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is COc1ccc(Nc2nc(-c3ccccc3F)no2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is MSJKFETUICKZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-21-13-8-7-10(9-14(13)22-2)18-16-19-15(20-23-16)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 315.30 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20952666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).