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

C18H19N3O5 — CID 20952768

IUPAC3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1
InChIInChI=1S/C18H19N3O5/c1-22-13-7-5-6-11(8-13)17-20-18(26-21-17)19-12-9-14(23-2)16(25-4)15(10-12)24-3/h5-10H,1-4H3,(H,19,20,21)
InChIKeyKEOWFQZYIXPNOQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.51
Rot. Bonds7

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

3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 20952768) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID20952768
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1
InChIInChI=1S/C18H19N3O5/c1-22-13-7-5-6-11(8-13)17-20-18(26-21-17)19-12-9-14(23-2)16(25-4)15(10-12)24-3/h5-10H,1-4H3,(H,19,20,21)
InChIKeyKEOWFQZYIXPNOQ-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

N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 53299062
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
CID 167843922
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952735
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine
CID 20912166
N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342231
3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133319455
1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
CID 20952694

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 20952768) is 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1cccc(-c2noc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is KEOWFQZYIXPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-22-13-7-5-6-11(8-13)17-20-18(26-21-17)19-12-9-14(23-2)16(25-4)15(10-12)24-3/h5-10H,1-4H3,(H,19,20,21).
What are the key properties of 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-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-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20952768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).