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

C13H15N3O2 — CID 63744389

IUPAC1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2ccc3c(c2)COC3)n1
InChIInChI=1S/C13H15N3O2/c1-8(14)4-12-15-13(18-16-12)9-2-3-10-6-17-7-11(10)5-9/h2-3,5,8H,4,6-7,14H2,1H3
InChIKeyITSJENFQURKUPY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.66
Rot. Bonds3

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

1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 63744389) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID63744389
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2ccc3c(c2)COC3)n1
InChIInChI=1S/C13H15N3O2/c1-8(14)4-12-15-13(18-16-12)9-2-3-10-6-17-7-11(10)5-9/h2-3,5,8H,4,6-7,14H2,1H3
InChIKeyITSJENFQURKUPY-UHFFFAOYSA-N
XLogP1.66
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 63743359
3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571868
1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103211770
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63190077
3-[3-(2-aminopropyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 55101582
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107965393
2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636453
1-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651224
3-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 63743862
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653412
1-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651230
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55101679

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 63744389) is 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)Cc1noc(-c2ccc3c(c2)COC3)n1.
What is the InChIKey of 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is ITSJENFQURKUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(14)4-12-15-13(18-16-12)9-2-3-10-6-17-7-11(10)5-9/h2-3,5,8H,4,6-7,14H2,1H3.
What are the key properties of 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 245.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 63744389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).