4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane

C15H17FeN2OP — CID 174950086

IUPAC4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane
SMILESP.[C-]1=NCCO1.[Fe+2].c1ccc([N-]c2ccccc2)cc1
InChIInChI=1S/C12H10N.C3H4NO.Fe.H3P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-3-4-1;;/h1-10H;1-2H2;;1H3/q2*-1;+2;
InChIKeyKMLGQSKEIOZVAR-UHFFFAOYSA-N
MW328.13 g/mol
LogP4.00
Rot. Bonds2

About 4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane

4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane (PubChem CID 174950086) has the molecular formula C15H17FeN2OP and a molecular weight of 328.13 g/mol. Its IUPAC name is 4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane.

Molecular Properties

Compound Name4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane
PubChem CID174950086
Molecular FormulaC15H17FeN2OP
Molecular Weight328.13 g/mol
Exact Mass328.04
IUPAC Name4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane
SMILESP.[C-]1=NCCO1.[Fe+2].c1ccc([N-]c2ccccc2)cc1
InChIInChI=1S/C12H10N.C3H4NO.Fe.H3P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-3-4-1;;/h1-10H;1-2H2;;1H3/q2*-1;+2;
InChIKeyKMLGQSKEIOZVAR-UHFFFAOYSA-N
XLogP4.00
TPSA35.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

magnesium bis(diphenylazanide)
CID 15502538
tris(diphenylazanide);bis(iron(3+));tribromide
CID 173104294
chlorotitanium(1+);diphenylazanide
CID 59831007
hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)
CID 58249962
1,2-dichlorobenzene;dioxane
CID 174792665
barium(2+);3,22-dioxa-12,13-diazabicyclo[22.4.0]octacosa-1(28),12,24,26-tetraene-2,23-dione;hydride
CID 174666774
tert-butyl(phenyl)azanide
CID 101391554
1,1'-biphenyl;4,5-dihydro-1,3-oxazole
CID 18473876
tris(tert-butyl(phenyl)azanide);titanium(3+)
CID 10994603
2,5-dichloro-3,4-diphenylfuran
CID 139844341
potassium phenyl(propan-2-yl)azanide
CID 141014055
2,2,2-triphenyl-1,3,2λ5-dioxaphosphepane-4,7-dione
CID 133053627

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane?
The IUPAC name of 4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane (CID 174950086) is 4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane.
What is the SMILES notation for 4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane?
The canonical SMILES for 4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane is P.[C-]1=NCCO1.[Fe+2].c1ccc([N-]c2ccccc2)cc1.
What is the InChIKey of 4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane?
The InChIKey is KMLGQSKEIOZVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N.C3H4NO.Fe.H3P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-3-4-1;;/h1-10H;1-2H2;;1H3/q2*-1;+2;.
What are the key properties of 4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane?
4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane has a molecular weight of 328.13 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane is sourced from PubChem (CID 174950086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).