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

C24H22NO3P — CID 101421164

IUPAC[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2[C@H]2OCO[C@@H]2C2=NCCO2)cc1
InChIInChI=1S/C24H22NO3P/c1-3-9-18(10-4-1)29(19-11-5-2-6-12-19)21-14-8-7-13-20(21)22-23(28-17-27-22)24-25-15-16-26-24/h1-14,22-23H,15-17H2/t22-,23+/m1/s1
InChIKeyKFRMEPZDBFJGOP-PKTZIBPZSA-N
MW403.42 g/mol
LogP3.29
Rot. Bonds5

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

[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane (PubChem CID 101421164) has the molecular formula C24H22NO3P and a molecular weight of 403.42 g/mol. Its IUPAC name is [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
PubChem CID101421164
Molecular FormulaC24H22NO3P
Molecular Weight403.42 g/mol
Exact Mass403.13
IUPAC Name[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2[C@H]2OCO[C@@H]2C2=NCCO2)cc1
InChIInChI=1S/C24H22NO3P/c1-3-9-18(10-4-1)29(19-11-5-2-6-12-19)21-14-8-7-13-20(21)22-23(28-17-27-22)24-25-15-16-26-24/h1-14,22-23H,15-17H2/t22-,23+/m1/s1
InChIKeyKFRMEPZDBFJGOP-PKTZIBPZSA-N
XLogP3.29
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane (CID 101421164) is [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-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)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccccc2[C@H]2OCO[C@@H]2C2=NCCO2)cc1.
What is the InChIKey of [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
The InChIKey is KFRMEPZDBFJGOP-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H22NO3P/c1-3-9-18(10-4-1)29(19-11-5-2-6-12-19)21-14-8-7-13-20(21)22-23(28-17-27-22)24-25-15-16-26-24/h1-14,22-23H,15-17H2/t22-,23+/m1/s1.
What are the key properties of [2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane?
[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane has a molecular weight of 403.42 g/mol, XLogP of 3.29, 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)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 101421164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).