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

C19H17N3O2 — CID 166230203

IUPAC1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)Cc1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C19H17N3O2/c20-15(10-13-6-2-1-3-7-13)12-18-21-19(22-24-18)17-11-14-8-4-5-9-16(14)23-17/h1-9,11,15H,10,12,20H2
InChIKeyUFRSKLKGQDKYBF-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.60
Rot. Bonds5

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

1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine (PubChem CID 166230203) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
PubChem CID166230203
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)Cc1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C19H17N3O2/c20-15(10-13-6-2-1-3-7-13)12-18-21-19(22-24-18)17-11-14-8-4-5-9-16(14)23-17/h1-9,11,15H,10,12,20H2
InChIKeyUFRSKLKGQDKYBF-UHFFFAOYSA-N
XLogP3.60
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073618
4-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106524747
3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
CID 63344525
N-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63090592
(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 103832707
1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66001189
1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine
CID 63089399
3-(1-benzofuran-2-yl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63092011
(2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
CID 166272061
4-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344483
4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 63090761
1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63091296

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine (CID 166230203) is 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine is NC(Cc1ccccc1)Cc1nc(-c2cc3ccccc3o2)no1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine?
The InChIKey is UFRSKLKGQDKYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-15(10-13-6-2-1-3-7-13)12-18-21-19(22-24-18)17-11-14-8-4-5-9-16(14)23-17/h1-9,11,15H,10,12,20H2.
What are the key properties of 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine?
1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine has a molecular weight of 319.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine is sourced from PubChem (CID 166230203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).