[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine

C20H23N3O3 — CID 143910304

IUPAC[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine
SMILESCCOc1ccc(-c2nc(-c3ccc(CN)cc3C)no2)cc1OCC
InChIInChI=1S/C20H23N3O3/c1-4-24-17-9-7-15(11-18(17)25-5-2)20-22-19(23-26-20)16-8-6-14(12-21)10-13(16)3/h6-11H,4-5,12,21H2,1-3H3
InChIKeyBYEPJUDWUDBZIE-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.97
Rot. Bonds7

About [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine

[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine (PubChem CID 143910304) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine
PubChem CID143910304
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine
SMILESCCOc1ccc(-c2nc(-c3ccc(CN)cc3C)no2)cc1OCC
InChIInChI=1S/C20H23N3O3/c1-4-24-17-9-7-15(11-18(17)25-5-2)20-22-19(23-26-20)16-8-6-14(12-21)10-13(16)3/h6-11H,4-5,12,21H2,1-3H3
InChIKeyBYEPJUDWUDBZIE-UHFFFAOYSA-N
XLogP3.97
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 70899982
[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol
CID 25110365
3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281999
5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 159007615
5-chloro-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
CID 136509872
1-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859350
5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole
CID 25110373
5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole
CID 59145467
5-(3,4-diethoxyphenyl)-3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole
CID 58344618
4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroxy-2,3-dihydroinden-1-one
CID 174631933
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 1091871
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine (CID 143910304) is [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine is CCOc1ccc(-c2nc(-c3ccc(CN)cc3C)no2)cc1OCC.
What is the InChIKey of [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine?
The InChIKey is BYEPJUDWUDBZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-24-17-9-7-15(11-18(17)25-5-2)20-22-19(23-26-20)16-8-6-14(12-21)10-13(16)3/h6-11H,4-5,12,21H2,1-3H3.
What are the key properties of [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine?
[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine has a molecular weight of 353.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine is sourced from PubChem (CID 143910304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).