(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine

C15H17N3O2 — CID 103832707

IUPAC(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)12(16)14-17-13(18-20-14)11-8-9-6-4-5-7-10(9)19-11/h4-8,12H,16H2,1-3H3/t12-/m1/s1
InChIKeyVEGFXXSACAUMOB-GFCCVEGCSA-N
MW271.32 g/mol
LogP3.53
Rot. Bonds2

About (1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine

(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (PubChem CID 103832707) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
PubChem CID103832707
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)12(16)14-17-13(18-20-14)11-8-9-6-4-5-7-10(9)19-11/h4-8,12H,16H2,1-3H3/t12-/m1/s1
InChIKeyVEGFXXSACAUMOB-GFCCVEGCSA-N
XLogP3.53
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-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-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63091296
(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104899417
(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 94549401
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337489
N-[1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 71921726
1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
CID 166230203
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63091297
1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66001189
3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 63091500
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 63089538
(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 107501935

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of (1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (CID 103832707) is (1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is CC(C)(C)[C@H](N)c1nc(-c2cc3ccccc3o2)no1.
What is the InChIKey of (1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is VEGFXXSACAUMOB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2,3)12(16)14-17-13(18-20-14)11-8-9-6-4-5-7-10(9)19-11/h4-8,12H,16H2,1-3H3/t12-/m1/s1.
What are the key properties of (1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 271.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 103832707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).