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

C19H21N3O4 — CID 46342229

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NCCc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C19H21N3O4/c1-23-15-6-4-5-14(12-15)18-21-19(26-22-18)20-10-9-13-7-8-16(24-2)17(11-13)25-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,21,22)
InChIKeyHKWRYKZDSMHSCB-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.42
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 46342229) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID46342229
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NCCc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C19H21N3O4/c1-23-15-6-4-5-14(12-15)18-21-19(26-22-18)20-10-9-13-7-8-16(24-2)17(11-13)25-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,21,22)
InChIKeyHKWRYKZDSMHSCB-UHFFFAOYSA-N
XLogP3.42
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760289
2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 110324159
4-[2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]ethyl]benzenesulfonamide
CID 20912177
3-(3-methoxyphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133332822
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
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine
CID 133346672
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
CID 53022064

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 46342229) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1cccc(-c2noc(NCCc3ccc(OC)c(OC)c3)n2)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is HKWRYKZDSMHSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-23-15-6-4-5-14(12-15)18-21-19(26-22-18)20-10-9-13-7-8-16(24-2)17(11-13)25-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,21,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 355.39 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).