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

C12H20N2O2 — CID 65183417

IUPACN-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(C2CCCO2)o1
InChIInChI=1S/C12H20N2O2/c1-2-6-13-7-5-12-14-9-11(16-12)10-4-3-8-15-10/h9-10,13H,2-8H2,1H3
InChIKeyVUOWIIYWDFPKGV-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.07
Rot. Bonds6

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

N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65183417) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65183417
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(C2CCCO2)o1
InChIInChI=1S/C12H20N2O2/c1-2-6-13-7-5-12-14-9-11(16-12)10-4-3-8-15-10/h9-10,13H,2-8H2,1H3
InChIKeyVUOWIIYWDFPKGV-UHFFFAOYSA-N
XLogP2.07
TPSA47.29 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 ≤ 52.07
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 N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65183417) is N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNCCc1ncc(C2CCCO2)o1.
What is the InChIKey of N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is VUOWIIYWDFPKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-6-13-7-5-12-14-9-11(16-12)10-4-3-8-15-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65183417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).