diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane

C20H24NOP — CID 58510248

IUPACdiphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane
SMILESCC(C)[C@H]1COC(CCP(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C20H24NOP/c1-16(2)19-15-22-20(21-19)13-14-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3/t19-/m1/s1
InChIKeySFGSLHDWUDUDBD-LJQANCHMSA-N
MW325.39 g/mol
LogP3.96
Rot. Bonds6

About diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane

diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane (PubChem CID 58510248) has the molecular formula C20H24NOP and a molecular weight of 325.39 g/mol. Its IUPAC name is diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane
PubChem CID58510248
Molecular FormulaC20H24NOP
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Namediphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane
SMILESCC(C)[C@H]1COC(CCP(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C20H24NOP/c1-16(2)19-15-22-20(21-19)13-14-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3/t19-/m1/s1
InChIKeySFGSLHDWUDUDBD-LJQANCHMSA-N
XLogP3.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane?
The IUPAC name of diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane (CID 58510248) is diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane.
What is the SMILES notation for diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane?
The canonical SMILES for diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane is CC(C)[C@H]1COC(CCP(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane?
The InChIKey is SFGSLHDWUDUDBD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24NOP/c1-16(2)19-15-22-20(21-19)13-14-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3/t19-/m1/s1.
What are the key properties of diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane?
diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane has a molecular weight of 325.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane is sourced from PubChem (CID 58510248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).