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

C17H15F3NOP — CID 100917846

IUPACdiphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane
SMILESFC(F)(F)C1=N[C@H](CP(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C17H15F3NOP/c18-17(19,20)16-21-13(11-22-16)12-23(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13H,11-12H2/t13-/m0/s1
InChIKeyHTQWWJHKRZHWTO-ZDUSSCGKSA-N
MW337.28 g/mol
LogP3.48
Rot. Bonds4

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

diphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane (PubChem CID 100917846) has the molecular formula C17H15F3NOP and a molecular weight of 337.28 g/mol. Its IUPAC name is diphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane.

Molecular Properties

Compound Namediphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane
PubChem CID100917846
Molecular FormulaC17H15F3NOP
Molecular Weight337.28 g/mol
Exact Mass337.08
IUPAC Namediphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane
SMILESFC(F)(F)C1=N[C@H](CP(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C17H15F3NOP/c18-17(19,20)16-21-13(11-22-16)12-23(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13H,11-12H2/t13-/m0/s1
InChIKeyHTQWWJHKRZHWTO-ZDUSSCGKSA-N
XLogP3.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 53.48
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-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane?
The IUPAC name of diphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane (CID 100917846) is diphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane.
What is the SMILES notation for diphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane?
The canonical SMILES for diphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane is FC(F)(F)C1=N[C@H](CP(c2ccccc2)c2ccccc2)CO1.
What is the InChIKey of diphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane?
The InChIKey is HTQWWJHKRZHWTO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15F3NOP/c18-17(19,20)16-21-13(11-22-16)12-23(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13H,11-12H2/t13-/m0/s1.
What are the key properties of diphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane?
diphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane has a molecular weight of 337.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[[(4S)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]phosphane is sourced from PubChem (CID 100917846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).