1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine

C15H16N2O3 — CID 170305279

IUPAC1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine
SMILESCCC(NC)(Oc1cccc2ccoc12)c1cnco1
InChIInChI=1S/C15H16N2O3/c1-3-15(16-2,13-9-17-10-19-13)20-12-6-4-5-11-7-8-18-14(11)12/h4-10,16H,3H2,1-2H3
InChIKeyPMHHNPOIOAGUDP-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.28
Rot. Bonds5

About 1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine

1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine (PubChem CID 170305279) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine
PubChem CID170305279
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine
SMILESCCC(NC)(Oc1cccc2ccoc12)c1cnco1
InChIInChI=1S/C15H16N2O3/c1-3-15(16-2,13-9-17-10-19-13)20-12-6-4-5-11-7-8-18-14(11)12/h4-10,16H,3H2,1-2H3
InChIKeyPMHHNPOIOAGUDP-UHFFFAOYSA-N
XLogP3.28
TPSA60.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine with MolForge

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Related Compounds

1-benzofuran-7-yl 2-iodo-2-methylbutanoate
CID 129168422
7-prop-2-ynoxy-1-benzofuran
CID 135362386
(1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
CID 166998253
1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 166998249
1-benzofuran-7-yl N,N-dimethylcarbamate
CID 134111675
3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol
CID 166998345
1-benzofuran-7-yloxyboronic acid
CID 171573912
7-(1-phenylbutoxy)-1-benzofuran
CID 142187410
7-(2-methylpentan-2-yl)-1-benzofuran
CID 130310594
1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate
CID 175480089
3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 146380553
(3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 146380552

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine?
The IUPAC name of 1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine (CID 170305279) is 1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine?
The canonical SMILES for 1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine is CCC(NC)(Oc1cccc2ccoc12)c1cnco1.
What is the InChIKey of 1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine?
The InChIKey is PMHHNPOIOAGUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-15(16-2,13-9-17-10-19-13)20-12-6-4-5-11-7-8-18-14(11)12/h4-10,16H,3H2,1-2H3.
What are the key properties of 1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine?
1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine has a molecular weight of 272.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine is sourced from PubChem (CID 170305279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).