N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine

C18H20N2O — CID 65183258

IUPACN-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C18H20N2O/c1-2-10-19-11-9-18-20-13-17(21-18)16-8-7-14-5-3-4-6-15(14)12-16/h3-8,12-13,19H,2,9-11H2,1H3
InChIKeyKDFOVBBOBUSQOV-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.04
Rot. Bonds6

About N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine

N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine (PubChem CID 65183258) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
PubChem CID65183258
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C18H20N2O/c1-2-10-19-11-9-18-20-13-17(21-18)16-8-7-14-5-3-4-6-15(14)12-16/h3-8,12-13,19H,2,9-11H2,1H3
InChIKeyKDFOVBBOBUSQOV-UHFFFAOYSA-N
XLogP4.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.04
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-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine (CID 65183258) is N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine is CCCNCCc1ncc(-c2ccc3ccccc3c2)o1.
What is the InChIKey of N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The InChIKey is KDFOVBBOBUSQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-10-19-11-9-18-20-13-17(21-18)16-8-7-14-5-3-4-6-15(14)12-16/h3-8,12-13,19H,2,9-11H2,1H3.
What are the key properties of N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine has a molecular weight of 280.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65183258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).