2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile

C10H8N4O — CID 158060796

IUPAC2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=CC1CN(c2ncco2)C1
InChIInChI=1S/C10H8N4O/c11-4-8(5-12)3-9-6-14(7-9)10-13-1-2-15-10/h1-3,9H,6-7H2
InChIKeyFKPPHPBTVONEDZ-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.08
Rot. Bonds2

About 2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile

2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile (PubChem CID 158060796) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile
PubChem CID158060796
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=CC1CN(c2ncco2)C1
InChIInChI=1S/C10H8N4O/c11-4-8(5-12)3-9-6-14(7-9)10-13-1-2-15-10/h1-3,9H,6-7H2
InChIKeyFKPPHPBTVONEDZ-UHFFFAOYSA-N
XLogP1.08
TPSA76.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile (CID 158060796) is 2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile is N#CC(C#N)=CC1CN(c2ncco2)C1.
What is the InChIKey of 2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile?
The InChIKey is FKPPHPBTVONEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c11-4-8(5-12)3-9-6-14(7-9)10-13-1-2-15-10/h1-3,9H,6-7H2.
What are the key properties of 2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile?
2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile has a molecular weight of 200.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,3-oxazol-2-yl)azetidin-3-yl]methylidene]propanedinitrile is sourced from PubChem (CID 158060796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).