[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane

C25H24F2NOP — CID 72982768

IUPAC[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane
SMILESCC(C)(C)C1COC(c2ccccc2P(c2ccc(F)cc2)c2ccc(F)cc2)=N1
InChIInChI=1S/C25H24F2NOP/c1-25(2,3)23-16-29-24(28-23)21-6-4-5-7-22(21)30(19-12-8-17(26)9-13-19)20-14-10-18(27)11-15-20/h4-15,23H,16H2,1-3H3
InChIKeyJWSNEALPJVGPLM-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.91
Rot. Bonds4

About [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane

[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane (PubChem CID 72982768) has the molecular formula C25H24F2NOP and a molecular weight of 423.44 g/mol. Its IUPAC name is [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane.

Molecular Properties

Compound Name[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane
PubChem CID72982768
Molecular FormulaC25H24F2NOP
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane
SMILESCC(C)(C)C1COC(c2ccccc2P(c2ccc(F)cc2)c2ccc(F)cc2)=N1
InChIInChI=1S/C25H24F2NOP/c1-25(2,3)23-16-29-24(28-23)21-6-4-5-7-22(21)30(19-12-8-17(26)9-13-19)20-14-10-18(27)11-15-20/h4-15,23H,16H2,1-3H3
InChIKeyJWSNEALPJVGPLM-UHFFFAOYSA-N
XLogP4.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2-(2-(Diphenylphosphanyl)phenyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 2734144
(S)-t-BuPHOX
CID 9937955
(4S)-2-(2-(Diphenylphosphanyl)phenyl)-5,5-dimethyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 71310816
(4S)-2-(2-(Diphenylphosphino)phenyl)-4-isopropyl-1,3-oxazoline
CID 9807779
(4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-(1,1-dimethylethyl)-4,5-dihydrooxazole
CID 24778094
(S)-2-(2-(bis(4-(Trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole
CID 44543553
diphenyl-[2-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane
CID 9841764
(S)-2-[2-[Bis(2-tolyl)phosphino]phenyl]-4-tert-butyl-2-oxazoline
CID 10975373
[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 11081765
4-[(E)-3-fluorohexadec-1-enyl]-2-phenyl-4,5-dihydro-1,3-oxazole
CID 14753851
(4S)-2-(2-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 15643582
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane?
The IUPAC name of [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane (CID 72982768) is [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane.
What is the SMILES notation for [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane?
The canonical SMILES for [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane is CC(C)(C)C1COC(c2ccccc2P(c2ccc(F)cc2)c2ccc(F)cc2)=N1.
What is the InChIKey of [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane?
The InChIKey is JWSNEALPJVGPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2NOP/c1-25(2,3)23-16-29-24(28-23)21-6-4-5-7-22(21)30(19-12-8-17(26)9-13-19)20-14-10-18(27)11-15-20/h4-15,23H,16H2,1-3H3.
What are the key properties of [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane?
[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane has a molecular weight of 423.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane is sourced from PubChem (CID 72982768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).