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

C18H19N3O4 — CID 20952749

IUPAC3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(CNc2nc(-c3cccc(OC)c3OC)no2)c1
InChIInChI=1S/C18H19N3O4/c1-22-13-7-4-6-12(10-13)11-19-18-20-17(21-25-18)14-8-5-9-15(23-2)16(14)24-3/h4-10H,11H2,1-3H3,(H,19,20,21)
InChIKeyCOBAUACGNUAAEH-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.37
Rot. Bonds7

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

3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 20952749) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID20952749
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(CNc2nc(-c3cccc(OC)c3OC)no2)c1
InChIInChI=1S/C18H19N3O4/c1-22-13-7-4-6-12(10-13)11-19-18-20-17(21-25-18)14-8-5-9-15(23-2)16(14)24-3/h4-10H,11H2,1-3H3,(H,19,20,21)
InChIKeyCOBAUACGNUAAEH-UHFFFAOYSA-N
XLogP3.37
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342174
3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952735
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342176
N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide
CID 133317401
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
N-benzyl-3-(2,3-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 46342172
3-(3-methoxyphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133332822
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
2-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 95911504
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine (CID 20952749) is 3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine is COc1cccc(CNc2nc(-c3cccc(OC)c3OC)no2)c1.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is COBAUACGNUAAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-22-13-7-4-6-12(10-13)11-19-18-20-17(21-25-18)14-8-5-9-15(23-2)16(14)24-3/h4-10H,11H2,1-3H3,(H,19,20,21).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 341.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20952749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).