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

C15H17N3O3 — CID 63096386

IUPAC6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(OCc3nc(C4CC4)no3)ccc21
InChIInChI=1S/C15H17N3O3/c1-16-12-7-20-13-6-10(4-5-11(12)13)19-8-14-17-15(18-21-14)9-2-3-9/h4-6,9,12,16H,2-3,7-8H2,1H3
InChIKeyQCKMLKJVJZGTMH-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.18
Rot. Bonds5

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

6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63096386) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63096386
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(OCc3nc(C4CC4)no3)ccc21
InChIInChI=1S/C15H17N3O3/c1-16-12-7-20-13-6-10(4-5-11(12)13)19-8-14-17-15(18-21-14)9-2-3-9/h4-6,9,12,16H,2-3,7-8H2,1H3
InChIKeyQCKMLKJVJZGTMH-UHFFFAOYSA-N
XLogP2.18
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.18
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]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 63096386) is 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine is CNC1COc2cc(OCc3nc(C4CC4)no3)ccc21.
What is the InChIKey of 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is QCKMLKJVJZGTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-16-12-7-20-13-6-10(4-5-11(12)13)19-8-14-17-15(18-21-14)9-2-3-9/h4-6,9,12,16H,2-3,7-8H2,1H3.
What are the key properties of 6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 287.32 g/mol, XLogP of 2.18, 5 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]-N-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63096386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).