5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile

C8H11N3O — CID 66008656

IUPAC5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile
SMILESCCC(C)c1nc(C#N)c(N)o1
InChIInChI=1S/C8H11N3O/c1-3-5(2)8-11-6(4-9)7(10)12-8/h5H,3,10H2,1-2H3
InChIKeyURYXIOJMEYQFIU-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.64
Rot. Bonds2

About 5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile

5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 66008656) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID66008656
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile
SMILESCCC(C)c1nc(C#N)c(N)o1
InChIInChI=1S/C8H11N3O/c1-3-5(2)8-11-6(4-9)7(10)12-8/h5H,3,10H2,1-2H3
InChIKeyURYXIOJMEYQFIU-UHFFFAOYSA-N
XLogP1.64
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile (CID 66008656) is 5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile is CCC(C)c1nc(C#N)c(N)o1.
What is the InChIKey of 5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is URYXIOJMEYQFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-5(2)8-11-6(4-9)7(10)12-8/h5H,3,10H2,1-2H3.
What are the key properties of 5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile?
5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 165.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 66008656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).