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

C12H20N2O2 — CID 65178767

IUPAC3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(CCC2CCCO2)o1
InChIInChI=1S/C12H20N2O2/c13-7-1-4-12-14-9-11(16-12)6-5-10-3-2-8-15-10/h9-10H,1-8,13H2
InChIKeyQHDCHFQJIFYDAJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.68
Rot. Bonds6

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

3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65178767) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65178767
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(CCC2CCCO2)o1
InChIInChI=1S/C12H20N2O2/c13-7-1-4-12-14-9-11(16-12)6-5-10-3-2-8-15-10/h9-10H,1-8,13H2
InChIKeyQHDCHFQJIFYDAJ-UHFFFAOYSA-N
XLogP1.68
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine (CID 65178767) is 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine is NCCCc1ncc(CCC2CCCO2)o1.
What is the InChIKey of 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is QHDCHFQJIFYDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-7-1-4-12-14-9-11(16-12)6-5-10-3-2-8-15-10/h9-10H,1-8,13H2.
What are the key properties of 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine?
3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65178767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).