N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine

C15H16N2O2 — CID 79145257

IUPACN-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1-c1cc2ccccc2o1
InChIInChI=1S/C15H16N2O2/c1-2-7-16-9-12-15(18-10-17-12)14-8-11-5-3-4-6-13(11)19-14/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyLQHPEHJRGJQBRD-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.59
Rot. Bonds5

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

N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 79145257) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID79145257
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1-c1cc2ccccc2o1
InChIInChI=1S/C15H16N2O2/c1-2-7-16-9-12-15(18-10-17-12)14-8-11-5-3-4-6-13(11)19-14/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyLQHPEHJRGJQBRD-UHFFFAOYSA-N
XLogP3.59
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 79145257) is N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1ncoc1-c1cc2ccccc2o1.
What is the InChIKey of N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is LQHPEHJRGJQBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-7-16-9-12-15(18-10-17-12)14-8-11-5-3-4-6-13(11)19-14/h3-6,8,10,16H,2,7,9H2,1H3.
What are the key properties of N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 256.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79145257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).