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

C13H24N2O — CID 65183412

IUPACN-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1ncc(C(C)CCC)o1
InChIInChI=1S/C13H24N2O/c1-4-6-11(3)12-10-15-13(16-12)7-9-14-8-5-2/h10-11,14H,4-9H2,1-3H3
InChIKeyWZOHBULVDOEJNI-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.12
Rot. Bonds8

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

N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine (PubChem CID 65183412) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
PubChem CID65183412
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1ncc(C(C)CCC)o1
InChIInChI=1S/C13H24N2O/c1-4-6-11(3)12-10-15-13(16-12)7-9-14-8-5-2/h10-11,14H,4-9H2,1-3H3
InChIKeyWZOHBULVDOEJNI-UHFFFAOYSA-N
XLogP3.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.12
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-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine (CID 65183412) is N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine is CCCNCCc1ncc(C(C)CCC)o1.
What is the InChIKey of N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The InChIKey is WZOHBULVDOEJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-6-11(3)12-10-15-13(16-12)7-9-14-8-5-2/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65183412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).