2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile

C14H11N5O — CID 169340926

IUPAC2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1nc(-c2ccc(NN=C(C#N)C#N)cc2)oc1C
InChIInChI=1S/C14H11N5O/c1-9-10(2)20-14(17-9)11-3-5-12(6-4-11)18-19-13(7-15)8-16/h3-6,18H,1-2H3
InChIKeyDWRJIDIRKUKBJS-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.77
Rot. Bonds3

About 2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340926) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340926
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1nc(-c2ccc(NN=C(C#N)C#N)cc2)oc1C
InChIInChI=1S/C14H11N5O/c1-9-10(2)20-14(17-9)11-3-5-12(6-4-11)18-19-13(7-15)8-16/h3-6,18H,1-2H3
InChIKeyDWRJIDIRKUKBJS-UHFFFAOYSA-N
XLogP2.77
TPSA98.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'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-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169340926) is 2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile is Cc1nc(-c2ccc(NN=C(C#N)C#N)cc2)oc1C.
What is the InChIKey of 2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is DWRJIDIRKUKBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-9-10(2)20-14(17-9)11-3-5-12(6-4-11)18-19-13(7-15)8-16/h3-6,18H,1-2H3.
What are the key properties of 2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 265.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).