5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile

C7H10N4O — CID 933895

IUPAC5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile
SMILESCC(C)c1nc(C#N)c(NN)o1
InChIInChI=1S/C7H10N4O/c1-4(2)6-10-5(3-8)7(11-9)12-6/h4,11H,9H2,1-2H3
InChIKeyTUVDYQNESAKVBL-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.96
Rot. Bonds2

About 5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile

5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 933895) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID933895
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile
SMILESCC(C)c1nc(C#N)c(NN)o1
InChIInChI=1S/C7H10N4O/c1-4(2)6-10-5(3-8)7(11-9)12-6/h4,11H,9H2,1-2H3
InChIKeyTUVDYQNESAKVBL-UHFFFAOYSA-N
XLogP0.96
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile (CID 933895) is 5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile is CC(C)c1nc(C#N)c(NN)o1.
What is the InChIKey of 5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is TUVDYQNESAKVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-4(2)6-10-5(3-8)7(11-9)12-6/h4,11H,9H2,1-2H3.
What are the key properties of 5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 166.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-propan-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 933895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).