3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine

C19H21N3O3 — CID 46342168

IUPAC3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCCc1ccc(CNc2nc(-c3ccc(OC)c(OC)c3)no2)cc1
InChIInChI=1S/C19H21N3O3/c1-4-13-5-7-14(8-6-13)12-20-19-21-18(22-25-19)15-9-10-16(23-2)17(11-15)24-3/h5-11H,4,12H2,1-3H3,(H,20,21,22)
InChIKeyVHPJWOXTLZBMRG-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.93
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine

3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 46342168) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID46342168
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCCc1ccc(CNc2nc(-c3ccc(OC)c(OC)c3)no2)cc1
InChIInChI=1S/C19H21N3O3/c1-4-13-5-7-14(8-6-13)12-20-19-21-18(22-25-19)15-9-10-16(23-2)17(11-15)24-3/h5-11H,4,12H2,1-3H3,(H,20,21,22)
InChIKeyVHPJWOXTLZBMRG-UHFFFAOYSA-N
XLogP3.93
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-1,2,4-oxadiazol-5-amine
CID 46276315
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
4-[2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]ethyl]benzenesulfonamide
CID 20912177
N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686701
3-(3-methoxyphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133332822
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79799127
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyaniline
CID 55409486
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 84592348
N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342174

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine (CID 46342168) is 3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine is CCc1ccc(CNc2nc(-c3ccc(OC)c(OC)c3)no2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is VHPJWOXTLZBMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-13-5-7-14(8-6-13)12-20-19-21-18(22-25-19)15-9-10-16(23-2)17(11-15)24-3/h5-11H,4,12H2,1-3H3,(H,20,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine?
3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 339.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).