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

C34H28NOP — CID 58626934

IUPAC[2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
SMILESc1ccc(C(c2ccccc2)[C@@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C34H28NOP/c1-5-15-26(16-6-1)33(27-17-7-2-8-18-27)31-25-36-34(35-31)30-23-13-14-24-32(30)37(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24,31,33H,25H2/t31-/m0/s1
InChIKeyMWFHREHGQHABLG-HKBQPEDESA-N
MW497.58 g/mol
LogP6.42
Rot. Bonds7

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

[2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane (PubChem CID 58626934) has the molecular formula C34H28NOP and a molecular weight of 497.58 g/mol. Its IUPAC name is [2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
PubChem CID58626934
Molecular FormulaC34H28NOP
Molecular Weight497.58 g/mol
Exact Mass497.19
IUPAC Name[2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
SMILESc1ccc(C(c2ccccc2)[C@@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C34H28NOP/c1-5-15-26(16-6-1)33(27-17-7-2-8-18-27)31-25-36-34(35-31)30-23-13-14-24-32(30)37(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24,31,33H,25H2/t31-/m0/s1
InChIKeyMWFHREHGQHABLG-HKBQPEDESA-N
XLogP6.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.58
LogP ≤ 56.42
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 [2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane (CID 58626934) is [2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane is c1ccc(C(c2ccccc2)[C@@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1.
What is the InChIKey of [2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The InChIKey is MWFHREHGQHABLG-HKBQPEDESA-N. The full InChI is InChI=1S/C34H28NOP/c1-5-15-26(16-6-1)33(27-17-7-2-8-18-27)31-25-36-34(35-31)30-23-13-14-24-32(30)37(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24,31,33H,25H2/t31-/m0/s1.
What are the key properties of [2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
[2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane has a molecular weight of 497.58 g/mol, XLogP of 6.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4R)-4-benzhydryl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 58626934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).