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

C12H9FN4O — CID 3762251

IUPAC5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(NN=Cc2ccccc2F)o1
InChIInChI=1S/C12H9FN4O/c1-8-16-11(6-14)12(18-8)17-15-7-9-4-2-3-5-10(9)13/h2-5,7,17H,1H3
InChIKeyDHNDDOFWFVVVJK-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.44
Rot. Bonds3

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

5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile (PubChem CID 3762251) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile
PubChem CID3762251
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(NN=Cc2ccccc2F)o1
InChIInChI=1S/C12H9FN4O/c1-8-16-11(6-14)12(18-8)17-15-7-9-4-2-3-5-10(9)13/h2-5,7,17H,1H3
InChIKeyDHNDDOFWFVVVJK-UHFFFAOYSA-N
XLogP2.44
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.44
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'}

Analyze 5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-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-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile (CID 3762251) is 5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile is Cc1nc(C#N)c(NN=Cc2ccccc2F)o1.
What is the InChIKey of 5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile?
The InChIKey is DHNDDOFWFVVVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c1-8-16-11(6-14)12(18-8)17-15-7-9-4-2-3-5-10(9)13/h2-5,7,17H,1H3.
What are the key properties of 5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile?
5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile has a molecular weight of 244.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 3762251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).