2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol

C24H24NO2P — CID 58626964

IUPAC2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C24H24NO2P/c1-24(2,26)22-17-27-23(25-22)20-15-9-10-16-21(20)28(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,22,26H,17H2,1-2H3/t22-/m0/s1
InChIKeyGVZDLZDETDNNPW-QFIPXVFZSA-N
MW389.44 g/mol
LogP3.36
Rot. Bonds5

About 2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol

2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol (PubChem CID 58626964) has the molecular formula C24H24NO2P and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol
PubChem CID58626964
Molecular FormulaC24H24NO2P
Molecular Weight389.44 g/mol
Exact Mass389.15
IUPAC Name2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C24H24NO2P/c1-24(2,26)22-17-27-23(25-22)20-15-9-10-16-21(20)28(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,22,26H,17H2,1-2H3/t22-/m0/s1
InChIKeyGVZDLZDETDNNPW-QFIPXVFZSA-N
XLogP3.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol?
The IUPAC name of 2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol (CID 58626964) is 2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol is CC(C)(O)[C@@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of 2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol?
The InChIKey is GVZDLZDETDNNPW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24NO2P/c1-24(2,26)22-17-27-23(25-22)20-15-9-10-16-21(20)28(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,22,26H,17H2,1-2H3/t22-/m0/s1.
What are the key properties of 2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol?
2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol has a molecular weight of 389.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol is sourced from PubChem (CID 58626964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).