1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C17H23N3O2 — CID 120858878

IUPAC1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCC(C)c1ccccc1OCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C17H23N3O2/c1-3-12(2)13-7-4-5-8-14(13)21-11-15-19-16(20-22-15)17(18)9-6-10-17/h4-5,7-8,12H,3,6,9-11,18H2,1-2H3
InChIKeyAGTLWTOZEZQELN-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.50
Rot. Bonds6

About 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120858878) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120858878
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCC(C)c1ccccc1OCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C17H23N3O2/c1-3-12(2)13-7-4-5-8-14(13)21-11-15-19-16(20-22-15)17(18)9-6-10-17/h4-5,7-8,12H,3,6,9-11,18H2,1-2H3
InChIKeyAGTLWTOZEZQELN-UHFFFAOYSA-N
XLogP3.50
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[(3-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851731
1-[5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858621
1-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859393
1-[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859398
1-[5-[2-[2-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861553
1-[5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854824
[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-phenylmethanone
CID 120860952
1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853984
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
CID 120854814
1-[5-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853869
(1S)-1-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-amine
CID 78933043
1-[5-[2-(4-fluorophenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861354

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120858878) is 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CCC(C)c1ccccc1OCc1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is AGTLWTOZEZQELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-12(2)13-7-4-5-8-14(13)21-11-15-19-16(20-22-15)17(18)9-6-10-17/h4-5,7-8,12H,3,6,9-11,18H2,1-2H3.
What are the key properties of 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 301.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120858878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).