6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

C14H15N3O3 — CID 63095491

IUPAC6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OCc3nc(C4CC4)no3)ccc21
InChIInChI=1S/C14H15N3O3/c15-11-6-19-12-5-9(3-4-10(11)12)18-7-13-16-14(17-20-13)8-1-2-8/h3-5,8,11H,1-2,6-7,15H2
InChIKeyTXBDZBXSLLYHOB-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.92
Rot. Bonds4

About 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63095491) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63095491
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OCc3nc(C4CC4)no3)ccc21
InChIInChI=1S/C14H15N3O3/c15-11-6-19-12-5-9(3-4-10(11)12)18-7-13-16-14(17-20-13)8-1-2-8/h3-5,8,11H,1-2,6-7,15H2
InChIKeyTXBDZBXSLLYHOB-UHFFFAOYSA-N
XLogP1.92
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (CID 63095491) is 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is NC1COc2cc(OCc3nc(C4CC4)no3)ccc21.
What is the InChIKey of 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is TXBDZBXSLLYHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-11-6-19-12-5-9(3-4-10(11)12)18-7-13-16-14(17-20-13)8-1-2-8/h3-5,8,11H,1-2,6-7,15H2.
What are the key properties of 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 273.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63095491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).