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

C30H33N2O2P — CID 23420775

IUPACphenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C30H33N2O2P/c1-20(2)25-18-33-29(31-25)23-14-8-10-16-27(23)35(22-12-6-5-7-13-22)28-17-11-9-15-24(28)30-32-26(19-34-30)21(3)4/h5-17,20-21,25-26H,18-19H2,1-4H3/t25-,26-/m1/s1
InChIKeyUIPLMJWAYDPXCJ-CLJLJLNGSA-N
MW484.58 g/mol
LogP5.05
Rot. Bonds7

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

phenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (PubChem CID 23420775) has the molecular formula C30H33N2O2P and a molecular weight of 484.58 g/mol. Its IUPAC name is phenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.

Molecular Properties

Compound Namephenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
PubChem CID23420775
Molecular FormulaC30H33N2O2P
Molecular Weight484.58 g/mol
Exact Mass484.23
IUPAC Namephenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C30H33N2O2P/c1-20(2)25-18-33-29(31-25)23-14-8-10-16-27(23)35(22-12-6-5-7-13-22)28-17-11-9-15-24(28)30-32-26(19-34-30)21(3)4/h5-17,20-21,25-26H,18-19H2,1-4H3/t25-,26-/m1/s1
InChIKeyUIPLMJWAYDPXCJ-CLJLJLNGSA-N
XLogP5.05
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.05
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 phenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The IUPAC name of phenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (CID 23420775) is phenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.
What is the SMILES notation for phenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The canonical SMILES for phenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is CC(C)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of phenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The InChIKey is UIPLMJWAYDPXCJ-CLJLJLNGSA-N. The full InChI is InChI=1S/C30H33N2O2P/c1-20(2)25-18-33-29(31-25)23-14-8-10-16-27(23)35(22-12-6-5-7-13-22)28-17-11-9-15-24(28)30-32-26(19-34-30)21(3)4/h5-17,20-21,25-26H,18-19H2,1-4H3/t25-,26-/m1/s1.
What are the key properties of phenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
phenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane has a molecular weight of 484.58 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is sourced from PubChem (CID 23420775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).