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

C15H16N2O2 — CID 65287939

IUPACN-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C15H16N2O2/c1-2-7-16-9-12-10-18-15(17-12)14-8-11-5-3-4-6-13(11)19-14/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyHHPBRLRNZJYPFP-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.59
Rot. Bonds5

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

N-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 65287939) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID65287939
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C15H16N2O2/c1-2-7-16-9-12-10-18-15(17-12)14-8-11-5-3-4-6-13(11)19-14/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyHHPBRLRNZJYPFP-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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Related Compounds

N-[[2-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288376
N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145257
N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288378
N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 114732190
N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288324
N-[[2-(2-nitrophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288571
N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65287895
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81307526
N-[[2-(3-chloro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81324992
N-[[2-(3-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 113461101
2-methoxy-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 65288455
N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138314

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 65287939) is N-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1coc(-c2cc3ccccc3o2)n1.
What is the InChIKey of N-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is HHPBRLRNZJYPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-7-16-9-12-10-18-15(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-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[2-(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-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65287939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).