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

C26H26NO3P — CID 101421162

IUPAC[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
SMILESCC1(C)O[C@H](C2=NCCO2)[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C26H26NO3P/c1-26(2)29-23(24(30-26)25-27-17-18-28-25)21-15-9-10-16-22(21)31(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,23-24H,17-18H2,1-2H3/t23-,24+/m1/s1
InChIKeyIQVLLIYZWSPYLW-RPWUZVMVSA-N
MW431.47 g/mol
LogP4.07
Rot. Bonds5

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

[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane (PubChem CID 101421162) has the molecular formula C26H26NO3P and a molecular weight of 431.47 g/mol. Its IUPAC name is [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
PubChem CID101421162
Molecular FormulaC26H26NO3P
Molecular Weight431.47 g/mol
Exact Mass431.17
IUPAC Name[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
SMILESCC1(C)O[C@H](C2=NCCO2)[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C26H26NO3P/c1-26(2)29-23(24(30-26)25-27-17-18-28-25)21-15-9-10-16-22(21)31(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,23-24H,17-18H2,1-2H3/t23-,24+/m1/s1
InChIKeyIQVLLIYZWSPYLW-RPWUZVMVSA-N
XLogP4.07
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mveveebnmblbjg-pmacekpbsa-
CID 10860732
N-benzyl-1-[(4R,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanimine
CID 14709900
(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-[(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
[2-(5-Methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
CID 86075673
[2-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane
CID 143467946
[2-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane
CID 177145827
N-benzyl-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanimine
CID 10893151
(4R,5R)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
CID 11002919
(4R,5S)-4-diphenylphosphoryl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
CID 11100511

Frequently Asked Questions

What is the IUPAC name of [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane (CID 101421162) is [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane is CC1(C)O[C@H](C2=NCCO2)[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
The InChIKey is IQVLLIYZWSPYLW-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H26NO3P/c1-26(2)29-23(24(30-26)25-27-17-18-28-25)21-15-9-10-16-22(21)31(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,23-24H,17-18H2,1-2H3/t23-,24+/m1/s1.
What are the key properties of [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane has a molecular weight of 431.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 101421162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).