2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine

C9H14N2O2 — CID 65179126

IUPAC2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(C2CCOC2)o1
InChIInChI=1S/C9H14N2O2/c10-3-1-9-11-5-8(13-9)7-2-4-12-6-7/h5,7H,1-4,6,10H2
InChIKeyYEXHPSQVWAATDT-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.68
Rot. Bonds3

About 2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine

2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65179126) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65179126
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(C2CCOC2)o1
InChIInChI=1S/C9H14N2O2/c10-3-1-9-11-5-8(13-9)7-2-4-12-6-7/h5,7H,1-4,6,10H2
InChIKeyYEXHPSQVWAATDT-UHFFFAOYSA-N
XLogP0.68
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine (CID 65179126) is 2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine is NCCc1ncc(C2CCOC2)o1.
What is the InChIKey of 2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is YEXHPSQVWAATDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-3-1-9-11-5-8(13-9)7-2-4-12-6-7/h5,7H,1-4,6,10H2.
What are the key properties of 2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 182.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65179126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).