3-(1,2-oxazol-3-yl)prop-2-en-1-amine

C6H8N2O — CID 156905784

IUPAC3-(1,2-oxazol-3-yl)prop-2-en-1-amine
SMILESNCC=Cc1ccon1
InChIInChI=1S/C6H8N2O/c7-4-1-2-6-3-5-9-8-6/h1-3,5H,4,7H2
InChIKeyVSPYUJNPXPDOCX-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.65
Rot. Bonds2

About 3-(1,2-oxazol-3-yl)prop-2-en-1-amine

3-(1,2-oxazol-3-yl)prop-2-en-1-amine (PubChem CID 156905784) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(1,2-oxazol-3-yl)prop-2-en-1-amine
PubChem CID156905784
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3-(1,2-oxazol-3-yl)prop-2-en-1-amine
SMILESNCC=Cc1ccon1
InChIInChI=1S/C6H8N2O/c7-4-1-2-6-3-5-9-8-6/h1-3,5H,4,7H2
InChIKeyVSPYUJNPXPDOCX-UHFFFAOYSA-N
XLogP0.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)prop-2-en-1-amine?
The IUPAC name of 3-(1,2-oxazol-3-yl)prop-2-en-1-amine (CID 156905784) is 3-(1,2-oxazol-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(1,2-oxazol-3-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(1,2-oxazol-3-yl)prop-2-en-1-amine is NCC=Cc1ccon1.
What is the InChIKey of 3-(1,2-oxazol-3-yl)prop-2-en-1-amine?
The InChIKey is VSPYUJNPXPDOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-4-1-2-6-3-5-9-8-6/h1-3,5H,4,7H2.
What are the key properties of 3-(1,2-oxazol-3-yl)prop-2-en-1-amine?
3-(1,2-oxazol-3-yl)prop-2-en-1-amine has a molecular weight of 124.14 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 156905784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).