bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane

C36H41N2O2P — CID 155891829

IUPACbis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
SMILESc1ccc(P(c2ccccc2C2=N[C@H](C3CCCCC3)CO2)c2ccccc2C2=N[C@H](C3CCCCC3)CO2)cc1
InChIInChI=1S/C36H41N2O2P/c1-4-14-26(15-5-1)31-24-39-35(37-31)29-20-10-12-22-33(29)41(28-18-8-3-9-19-28)34-23-13-11-21-30(34)36-38-32(25-40-36)27-16-6-2-7-17-27/h3,8-13,18-23,26-27,31-32H,1-2,4-7,14-17,24-25H2/t31-,32-/m0/s1
InChIKeyUNNXTSKUSPPYLJ-ACHIHNKUSA-N
MW564.71 g/mol
LogP6.90
Rot. Bonds7

About bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane

bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane (PubChem CID 155891829) has the molecular formula C36H41N2O2P and a molecular weight of 564.71 g/mol. Its IUPAC name is bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane.

Molecular Properties

Compound Namebis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
PubChem CID155891829
Molecular FormulaC36H41N2O2P
Molecular Weight564.71 g/mol
Exact Mass564.29
IUPAC Namebis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
SMILESc1ccc(P(c2ccccc2C2=N[C@H](C3CCCCC3)CO2)c2ccccc2C2=N[C@H](C3CCCCC3)CO2)cc1
InChIInChI=1S/C36H41N2O2P/c1-4-14-26(15-5-1)31-24-39-35(37-31)29-20-10-12-22-33(29)41(28-18-8-3-9-19-28)34-23-13-11-21-30(34)36-38-32(25-40-36)27-16-6-2-7-17-27/h3,8-13,18-23,26-27,31-32H,1-2,4-7,14-17,24-25H2/t31-,32-/m0/s1
InChIKeyUNNXTSKUSPPYLJ-ACHIHNKUSA-N
XLogP6.90
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.71
LogP ≤ 56.90
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 bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane?
The IUPAC name of bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane (CID 155891829) is bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane.
What is the SMILES notation for bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane?
The canonical SMILES for bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane is c1ccc(P(c2ccccc2C2=N[C@H](C3CCCCC3)CO2)c2ccccc2C2=N[C@H](C3CCCCC3)CO2)cc1.
What is the InChIKey of bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane?
The InChIKey is UNNXTSKUSPPYLJ-ACHIHNKUSA-N. The full InChI is InChI=1S/C36H41N2O2P/c1-4-14-26(15-5-1)31-24-39-35(37-31)29-20-10-12-22-33(29)41(28-18-8-3-9-19-28)34-23-13-11-21-30(34)36-38-32(25-40-36)27-16-6-2-7-17-27/h3,8-13,18-23,26-27,31-32H,1-2,4-7,14-17,24-25H2/t31-,32-/m0/s1.
What are the key properties of bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane?
bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane has a molecular weight of 564.71 g/mol, XLogP of 6.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane is sourced from PubChem (CID 155891829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).