2-amino-2-(1,3-oxazol-2-yl)acetonitrile

C5H5N3O — CID 22329351

IUPAC2-amino-2-(1,3-oxazol-2-yl)acetonitrile
SMILESN#CC(N)c1ncco1
InChIInChI=1S/C5H5N3O/c6-3-4(7)5-8-1-2-9-5/h1-2,4H,7H2
InChIKeyMMNLQPQYQRHYEO-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.20
Rot. Bonds1

About 2-amino-2-(1,3-oxazol-2-yl)acetonitrile

2-amino-2-(1,3-oxazol-2-yl)acetonitrile (PubChem CID 22329351) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 2-amino-2-(1,3-oxazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(1,3-oxazol-2-yl)acetonitrile
PubChem CID22329351
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name2-amino-2-(1,3-oxazol-2-yl)acetonitrile
SMILESN#CC(N)c1ncco1
InChIInChI=1S/C5H5N3O/c6-3-4(7)5-8-1-2-9-5/h1-2,4H,7H2
InChIKeyMMNLQPQYQRHYEO-UHFFFAOYSA-N
XLogP0.20
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,3-oxazol-2-yl)acetonitrile?
The IUPAC name of 2-amino-2-(1,3-oxazol-2-yl)acetonitrile (CID 22329351) is 2-amino-2-(1,3-oxazol-2-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(1,3-oxazol-2-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(1,3-oxazol-2-yl)acetonitrile is N#CC(N)c1ncco1.
What is the InChIKey of 2-amino-2-(1,3-oxazol-2-yl)acetonitrile?
The InChIKey is MMNLQPQYQRHYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c6-3-4(7)5-8-1-2-9-5/h1-2,4H,7H2.
What are the key properties of 2-amino-2-(1,3-oxazol-2-yl)acetonitrile?
2-amino-2-(1,3-oxazol-2-yl)acetonitrile has a molecular weight of 123.11 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,3-oxazol-2-yl)acetonitrile is sourced from PubChem (CID 22329351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).