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

C13H13N3O2 — CID 62653521

IUPAC2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C13H13N3O2/c1-8(7-14)12-15-13(18-16-12)11-6-9-4-2-3-5-10(9)17-11/h2-6,8H,7,14H2,1H3
InChIKeyWPHVJYQPEXTRRO-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.55
Rot. Bonds3

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

2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62653521) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62653521
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C13H13N3O2/c1-8(7-14)12-15-13(18-16-12)11-6-9-4-2-3-5-10(9)17-11/h2-6,8H,7,14H2,1H3
InChIKeyWPHVJYQPEXTRRO-UHFFFAOYSA-N
XLogP2.55
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660772
2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62651517
2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 62653143
2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62651887
2-[5-(1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102006
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 82880062
2-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55101961
2-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073618
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79684730
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62652975
2-butan-2-yl-1-benzofuran
CID 12065919
2-[5-(4-bromo-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 113296181

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62653521) is 2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(CN)c1noc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is WPHVJYQPEXTRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8(7-14)12-15-13(18-16-12)11-6-9-4-2-3-5-10(9)17-11/h2-6,8H,7,14H2,1H3.
What are the key properties of 2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 62653521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).