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

C18H19N3O5 — CID 20952735

IUPAC3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3cccc(OC)c3OC)no2)c(OC)c1
InChIInChI=1S/C18H19N3O5/c1-22-11-8-9-13(15(10-11)24-3)19-18-20-17(21-26-18)12-6-5-7-14(23-2)16(12)25-4/h5-10H,1-4H3,(H,19,20,21)
InChIKeyMDCHVQOCJLRROV-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.51
Rot. Bonds7

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

3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 20952735) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID20952735
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3cccc(OC)c3OC)no2)c(OC)c1
InChIInChI=1S/C18H19N3O5/c1-22-11-8-9-13(15(10-11)24-3)19-18-20-17(21-26-18)12-6-5-7-14(23-2)16(12)25-4/h5-10H,1-4H3,(H,19,20,21)
InChIKeyMDCHVQOCJLRROV-UHFFFAOYSA-N
XLogP3.51
TPSA87.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 20952749
N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342176
N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342174
N-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20910064
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768
2-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 95911504
3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 20881484
3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine
CID 20910060
2-(2,3-dimethoxyphenyl)-6-(2,4-dimethoxyphenyl)pyridine
CID 90670585
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46342204

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 20952735) is 3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1ccc(Nc2nc(-c3cccc(OC)c3OC)no2)c(OC)c1.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is MDCHVQOCJLRROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-22-11-8-9-13(15(10-11)24-3)19-18-20-17(21-26-18)12-6-5-7-14(23-2)16(12)25-4/h5-10H,1-4H3,(H,19,20,21).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 357.37 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20952735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).