3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine

C14H24N2O2 — CID 65187076

IUPAC3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C14H24N2O2/c1-2-8-15-9-5-7-14-16-11-13(18-14)12-6-3-4-10-17-12/h11-12,15H,2-10H2,1H3
InChIKeyKLGPABJKZAMXRV-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.85
Rot. Bonds7

About 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine

3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (PubChem CID 65187076) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
PubChem CID65187076
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C14H24N2O2/c1-2-8-15-9-5-7-14-16-11-13(18-14)12-6-3-4-10-17-12/h11-12,15H,2-10H2,1H3
InChIKeyKLGPABJKZAMXRV-UHFFFAOYSA-N
XLogP2.85
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.85
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 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (CID 65187076) is 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1ncc(C2CCCCO2)o1.
What is the InChIKey of 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is KLGPABJKZAMXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-8-15-9-5-7-14-16-11-13(18-14)12-6-3-4-10-17-12/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 65187076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).