(4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole

C22H20NO2P — CID 11002919

IUPAC(4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1OC(c2ccccc2)=N[C@@H]1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NO2P/c1-17-22(23-21(25-17)18-11-5-2-6-12-18)26(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,22H,1H3/t17-,22-/m1/s1
InChIKeyAVQHJYYADHFMAB-VGOFRKELSA-N
MW361.38 g/mol
LogP4.19
Rot. Bonds4

About (4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole

(4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 11002919) has the molecular formula C22H20NO2P and a molecular weight of 361.38 g/mol. Its IUPAC name is (4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID11002919
Molecular FormulaC22H20NO2P
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name(4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1OC(c2ccccc2)=N[C@@H]1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NO2P/c1-17-22(23-21(25-17)18-11-5-2-6-12-18)26(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,22H,1H3/t17-,22-/m1/s1
InChIKeyAVQHJYYADHFMAB-VGOFRKELSA-N
XLogP4.19
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mls002667700
CID 244135
(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
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
[2-(4-Tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane
CID 72982768
[2-(4-Propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 85392048
Fluoro-(4-methylphenyl)-[(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl]-lambda3-iodane
CID 178252038
(4R)-4-(1,1-Dimethylethyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole
CID 2733121

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole (CID 11002919) is (4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole is C[C@H]1OC(c2ccccc2)=N[C@@H]1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is AVQHJYYADHFMAB-VGOFRKELSA-N. The full InChI is InChI=1S/C22H20NO2P/c1-17-22(23-21(25-17)18-11-5-2-6-12-18)26(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,22H,1H3/t17-,22-/m1/s1.
What are the key properties of (4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
(4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 361.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11002919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).