[2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane

C29H32NO3P — CID 15605995

IUPAC[2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
SMILESCC(C)[C@@H]1COC([C@H]2OC(C)(C)O[C@@H]2c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C29H32NO3P/c1-20(2)24-19-31-28(30-24)27-26(32-29(3,4)33-27)23-17-11-12-18-25(23)34(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-18,20,24,26-27H,19H2,1-4H3/t24-,26+,27-/m0/s1
InChIKeyMFSRHRUNJYVSNU-OIKPOIBNSA-N
MW473.55 g/mol
LogP5.09
Rot. Bonds6

About [2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane

[2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane (PubChem CID 15605995) has the molecular formula C29H32NO3P and a molecular weight of 473.55 g/mol. Its IUPAC name is [2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
PubChem CID15605995
Molecular FormulaC29H32NO3P
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC Name[2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
SMILESCC(C)[C@@H]1COC([C@H]2OC(C)(C)O[C@@H]2c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C29H32NO3P/c1-20(2)24-19-31-28(30-24)27-26(32-29(3,4)33-27)23-17-11-12-18-25(23)34(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-18,20,24,26-27H,19H2,1-4H3/t24-,26+,27-/m0/s1
InChIKeyMFSRHRUNJYVSNU-OIKPOIBNSA-N
XLogP5.09
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.55
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyrrole
CID 69407146
(4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-isopropyl-4,5-dihydrooxazole)
CID 23420775
(4S)-2-[(2R)-3,3-diphenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101117327
[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
CID 101421162
(2S,3R,4R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyrrole
CID 134864419
N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine
CID 135003751
2-[(2S)-3,3-diphenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 135024575
2-[(4S,5R)-5-(2-diphenylphosphorylphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dihydro-1,3-oxazole
CID 135079577
(4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10572225
(4S)-2-(3,3-diphenyloxiran-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 177391558
(4-Methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane
CID 70877071
4,5-dihydro-1,3-oxazole;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
CID 87399789

Frequently Asked Questions

What is the IUPAC name of [2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane (CID 15605995) is [2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane is CC(C)[C@@H]1COC([C@H]2OC(C)(C)O[C@@H]2c2ccccc2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
The InChIKey is MFSRHRUNJYVSNU-OIKPOIBNSA-N. The full InChI is InChI=1S/C29H32NO3P/c1-20(2)24-19-31-28(30-24)27-26(32-29(3,4)33-27)23-17-11-12-18-25(23)34(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-18,20,24,26-27H,19H2,1-4H3/t24-,26+,27-/m0/s1.
What are the key properties of [2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
[2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane has a molecular weight of 473.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4R,5S)-2,2-dimethyl-5-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 15605995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).