3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile

C6H7N3O2 — CID 90050584

IUPAC3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile
SMILESN#CCC(N)c1cc(=O)o[nH]1
InChIInChI=1S/C6H7N3O2/c7-2-1-4(8)5-3-6(10)11-9-5/h3-4,9H,1,8H2
InChIKeyVOQBQCSHMGVIJL-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.12
Rot. Bonds2

About 3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile

3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile (PubChem CID 90050584) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile
PubChem CID90050584
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile
SMILESN#CCC(N)c1cc(=O)o[nH]1
InChIInChI=1S/C6H7N3O2/c7-2-1-4(8)5-3-6(10)11-9-5/h3-4,9H,1,8H2
InChIKeyVOQBQCSHMGVIJL-UHFFFAOYSA-N
XLogP-0.12
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile?
The IUPAC name of 3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile (CID 90050584) is 3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile.
What is the SMILES notation for 3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile?
The canonical SMILES for 3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile is N#CCC(N)c1cc(=O)o[nH]1.
What is the InChIKey of 3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile?
The InChIKey is VOQBQCSHMGVIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-2-1-4(8)5-3-6(10)11-9-5/h3-4,9H,1,8H2.
What are the key properties of 3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile?
3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile has a molecular weight of 153.14 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile is sourced from PubChem (CID 90050584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).