3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine

C17H23N3O3 — CID 120835501

IUPAC3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(c2nc(-c3ccccc3OC)no2)C1(C)C
InChIInChI=1S/C17H23N3O3/c1-5-22-13-10-17(18,16(13,2)3)15-19-14(20-23-15)11-8-6-7-9-12(11)21-4/h6-9,13H,5,10,18H2,1-4H3
InChIKeyICGPIQNOYCYQSV-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.73
Rot. Bonds5

About 3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 120835501) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine
PubChem CID120835501
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(c2nc(-c3ccccc3OC)no2)C1(C)C
InChIInChI=1S/C17H23N3O3/c1-5-22-13-10-17(18,16(13,2)3)15-19-14(20-23-15)11-8-6-7-9-12(11)21-4/h6-9,13H,5,10,18H2,1-4H3
InChIKeyICGPIQNOYCYQSV-UHFFFAOYSA-N
XLogP2.73
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine with MolForge

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Related Compounds

5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 63145223
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846588
3-(2-methoxyphenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145179
methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734676
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764126
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 115532985
5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 154797697
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 55096100
5-(4,4-difluoropyrrolidin-2-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835482
3-(2-methoxyphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655382
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 5130333

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine (CID 120835501) is 3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(c2nc(-c3ccccc3OC)no2)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is ICGPIQNOYCYQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-22-13-10-17(18,16(13,2)3)15-19-14(20-23-15)11-8-6-7-9-12(11)21-4/h6-9,13H,5,10,18H2,1-4H3.
What are the key properties of 3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 317.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 120835501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).