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

C9H14N2O2 — CID 65178852

IUPAC1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C2CCCO2)o1
InChIInChI=1S/C9H14N2O2/c1-6(10)9-11-5-8(13-9)7-3-2-4-12-7/h5-7H,2-4,10H2,1H3
InChIKeyNVUMKRUDGLYYOO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.55
Rot. Bonds2

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

1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65178852) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65178852
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C2CCCO2)o1
InChIInChI=1S/C9H14N2O2/c1-6(10)9-11-5-8(13-9)7-3-2-4-12-7/h5-7H,2-4,10H2,1H3
InChIKeyNVUMKRUDGLYYOO-UHFFFAOYSA-N
XLogP1.55
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine (CID 65178852) is 1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(C2CCCO2)o1.
What is the InChIKey of 1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is NVUMKRUDGLYYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(10)9-11-5-8(13-9)7-3-2-4-12-7/h5-7H,2-4,10H2,1H3.
What are the key properties of 1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 182.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65178852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).