2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

C15H15FN4O — CID 170983612

IUPAC2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCC(C)(C)c1nc(C#N)c(NN=Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H15FN4O/c1-15(2,3)14-19-12(8-17)13(21-14)20-18-9-10-4-6-11(16)7-5-10/h4-7,9,20H,1-3H3
InChIKeyOUVRWIDCDYLOBO-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.43
Rot. Bonds3

About 2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (PubChem CID 170983612) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
PubChem CID170983612
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCC(C)(C)c1nc(C#N)c(NN=Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H15FN4O/c1-15(2,3)14-19-12(8-17)13(21-14)20-18-9-10-4-6-11(16)7-5-10/h4-7,9,20H,1-3H3
InChIKeyOUVRWIDCDYLOBO-UHFFFAOYSA-N
XLogP3.43
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (CID 170983612) is 2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is CC(C)(C)c1nc(C#N)c(NN=Cc2ccc(F)cc2)o1.
What is the InChIKey of 2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is OUVRWIDCDYLOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-15(2,3)14-19-12(8-17)13(21-14)20-18-9-10-4-6-11(16)7-5-10/h4-7,9,20H,1-3H3.
What are the key properties of 2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 286.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 170983612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).