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

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Related Compounds

5-amino-2-(3-methylbutan-2-yl)-1,3-oxazole-4-carbonitrile
CID 66010529
5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile
CID 165380889
5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile
CID 162729495
(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 94344079
5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 130594467
2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile
CID 82477297
5-amino-2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carbonitrile
CID 66007820
5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009904
5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile
CID 66009070
5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine
CID 68737971
5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile
CID 53406964
5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 66010530

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).