diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane

C19H22NOP — CID 15464547

IUPACdiphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane
SMILESCC(C)C1COC(CP(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C19H22NOP/c1-15(2)18-13-21-19(20-18)14-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3
InChIKeyYUZBSEYGPUZJMD-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.57
Rot. Bonds5

About diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane

diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane (PubChem CID 15464547) has the molecular formula C19H22NOP and a molecular weight of 311.37 g/mol. Its IUPAC name is diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane.

Molecular Properties

Compound Namediphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane
PubChem CID15464547
Molecular FormulaC19H22NOP
Molecular Weight311.37 g/mol
Exact Mass311.14
IUPAC Namediphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane
SMILESCC(C)C1COC(CP(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C19H22NOP/c1-15(2)18-13-21-19(20-18)14-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3
InChIKeyYUZBSEYGPUZJMD-UHFFFAOYSA-N
XLogP3.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.57
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 diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane?
The IUPAC name of diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane (CID 15464547) is diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane.
What is the SMILES notation for diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane?
The canonical SMILES for diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane is CC(C)C1COC(CP(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane?
The InChIKey is YUZBSEYGPUZJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NOP/c1-15(2)18-13-21-19(20-18)14-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3.
What are the key properties of diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane?
diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane has a molecular weight of 311.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane is sourced from PubChem (CID 15464547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).