(1S)-1-(1,3-oxazol-2-yl)ethanamine

C5H8N2O — CID 28924825

IUPAC(1S)-1-(1,3-oxazol-2-yl)ethanamine
SMILESC[C@H](N)c1ncco1
InChIInChI=1S/C5H8N2O/c1-4(6)5-7-2-3-8-5/h2-4H,6H2,1H3/t4-/m0/s1
InChIKeyCWJDVDQXFIORGV-BYPYZUCNSA-N
MW112.13 g/mol
LogP0.69
Rot. Bonds1

About (1S)-1-(1,3-oxazol-2-yl)ethanamine

(1S)-1-(1,3-oxazol-2-yl)ethanamine (PubChem CID 28924825) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (1S)-1-(1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1,3-oxazol-2-yl)ethanamine
PubChem CID28924825
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(1S)-1-(1,3-oxazol-2-yl)ethanamine
SMILESC[C@H](N)c1ncco1
InChIInChI=1S/C5H8N2O/c1-4(6)5-7-2-3-8-5/h2-4H,6H2,1H3/t4-/m0/s1
InChIKeyCWJDVDQXFIORGV-BYPYZUCNSA-N
XLogP0.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,3-oxazol-2-yl)ethanamine?
The IUPAC name of (1S)-1-(1,3-oxazol-2-yl)ethanamine (CID 28924825) is (1S)-1-(1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(1,3-oxazol-2-yl)ethanamine is C[C@H](N)c1ncco1.
What is the InChIKey of (1S)-1-(1,3-oxazol-2-yl)ethanamine?
The InChIKey is CWJDVDQXFIORGV-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4(6)5-7-2-3-8-5/h2-4H,6H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-(1,3-oxazol-2-yl)ethanamine?
(1S)-1-(1,3-oxazol-2-yl)ethanamine has a molecular weight of 112.13 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 28924825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).