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

C17H18N2O — CID 65239480

IUPACN-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cnoc1-c1cccc2ccccc12
InChIInChI=1S/C17H18N2O/c1-2-10-18-11-14-12-19-20-17(14)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,18H,2,10-11H2,1H3
InChIKeyIJGFNRBNNARPES-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.99
Rot. Bonds5

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

N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine (PubChem CID 65239480) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine
PubChem CID65239480
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cnoc1-c1cccc2ccccc12
InChIInChI=1S/C17H18N2O/c1-2-10-18-11-14-12-19-20-17(14)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,18H,2,10-11H2,1H3
InChIKeyIJGFNRBNNARPES-UHFFFAOYSA-N
XLogP3.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine (CID 65239480) is N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine is CCCNCc1cnoc1-c1cccc2ccccc12.
What is the InChIKey of N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine?
The InChIKey is IJGFNRBNNARPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-10-18-11-14-12-19-20-17(14)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,18H,2,10-11H2,1H3.
What are the key properties of N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine?
N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 65239480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).