2-(1,2-oxazol-5-yl)ethanamine

C5H8N2O — CID 54224143

IUPAC2-(1,2-oxazol-5-yl)ethanamine
SMILESNCCc1ccno1
InChIInChI=1S/C5H8N2O/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2
InChIKeyQERJFBGPSMQXGL-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.18
Rot. Bonds2

About 2-(1,2-oxazol-5-yl)ethanamine

2-(1,2-oxazol-5-yl)ethanamine (PubChem CID 54224143) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2-oxazol-5-yl)ethanamine
PubChem CID54224143
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-(1,2-oxazol-5-yl)ethanamine
SMILESNCCc1ccno1
InChIInChI=1S/C5H8N2O/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2
InChIKeyQERJFBGPSMQXGL-UHFFFAOYSA-N
XLogP0.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-Oxazol-5-yl)acetonitrile
CID 4962546
5-Tert-butylisoxazole
CID 3304353
5-(2-Methylpropyl)-1,2-oxazole
CID 20694793
5-(2-Chloroethyl)isoxazole
CID 121597246
5-(3-Aminopropyl)isoxazole
CID 129565
5-Propylisoxazole
CID 2106909
2-(1,2-Oxazol-5-yl)ethan-1-amine hydrochloride
CID 84649242
5-cyclopropylIsoxazole
CID 10214380
Isoxazol-5-ylmethanamine hydrochloride
CID 18442593
1-(1,2-Oxazol-5-yl)methanamine
CID 18442594
5-(1,1-Difluoroethyl)-1,2-oxazole
CID 143065279
5-(2-Fluoropropan-2-yl)-1,2-oxazole
CID 153457597

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(1,2-oxazol-5-yl)ethanamine (CID 54224143) is 2-(1,2-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1,2-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(1,2-oxazol-5-yl)ethanamine is NCCc1ccno1.
What is the InChIKey of 2-(1,2-oxazol-5-yl)ethanamine?
The InChIKey is QERJFBGPSMQXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2.
What are the key properties of 2-(1,2-oxazol-5-yl)ethanamine?
2-(1,2-oxazol-5-yl)ethanamine has a molecular weight of 112.13 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-yl)ethanamine is sourced from PubChem (CID 54224143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).