[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane

C23H22NOP — CID 59863248

IUPAC[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
SMILESCCC1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H22NOP/c1-2-18-17-25-23(24-18)21-15-9-10-16-22(21)26(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18H,2,17H2,1H3
InChIKeyIHCPTAVTRPQUPC-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.00
Rot. Bonds5

About [2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane

[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane (PubChem CID 59863248) has the molecular formula C23H22NOP and a molecular weight of 359.41 g/mol. Its IUPAC name is [2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
PubChem CID59863248
Molecular FormulaC23H22NOP
Molecular Weight359.41 g/mol
Exact Mass359.14
IUPAC Name[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
SMILESCCC1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H22NOP/c1-2-18-17-25-23(24-18)21-15-9-10-16-22(21)26(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18H,2,17H2,1H3
InChIKeyIHCPTAVTRPQUPC-UHFFFAOYSA-N
XLogP4.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane (CID 59863248) is [2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane is CCC1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
The InChIKey is IHCPTAVTRPQUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NOP/c1-2-18-17-25-23(24-18)21-15-9-10-16-22(21)26(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18H,2,17H2,1H3.
What are the key properties of [2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane has a molecular weight of 359.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 59863248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).