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

C10H9N3O — CID 23423054

IUPAC2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile
SMILESCC(=C(C#N)C#N)c1oc(C)nc1C
InChIInChI=1S/C10H9N3O/c1-6(9(4-11)5-12)10-7(2)13-8(3)14-10/h1-3H3
InChIKeyHYSDTFQOWVGNPF-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.11
Rot. Bonds1

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

2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile (PubChem CID 23423054) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile
PubChem CID23423054
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile
SMILESCC(=C(C#N)C#N)c1oc(C)nc1C
InChIInChI=1S/C10H9N3O/c1-6(9(4-11)5-12)10-7(2)13-8(3)14-10/h1-3H3
InChIKeyHYSDTFQOWVGNPF-UHFFFAOYSA-N
XLogP2.11
TPSA73.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile (CID 23423054) is 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile is CC(=C(C#N)C#N)c1oc(C)nc1C.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile?
The InChIKey is HYSDTFQOWVGNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-6(9(4-11)5-12)10-7(2)13-8(3)14-10/h1-3H3.
What are the key properties of 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile?
2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile has a molecular weight of 187.20 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylidene]propanedinitrile is sourced from PubChem (CID 23423054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).