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

C32H26NOP — CID 58626967

IUPAC[2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2C2=N[C@@H](Cc3ccc4ccccc4c3)CO2)cc1
InChIInChI=1S/C32H26NOP/c1-3-13-28(14-4-1)35(29-15-5-2-6-16-29)31-18-10-9-17-30(31)32-33-27(23-34-32)22-24-19-20-25-11-7-8-12-26(25)21-24/h1-21,27H,22-23H2/t27-/m0/s1
InChIKeyNZVMPBOJJVYVRP-MHZLTWQESA-N
MW471.54 g/mol
LogP5.99
Rot. Bonds6

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

[2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane (PubChem CID 58626967) has the molecular formula C32H26NOP and a molecular weight of 471.54 g/mol. Its IUPAC name is [2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
PubChem CID58626967
Molecular FormulaC32H26NOP
Molecular Weight471.54 g/mol
Exact Mass471.18
IUPAC Name[2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2C2=N[C@@H](Cc3ccc4ccccc4c3)CO2)cc1
InChIInChI=1S/C32H26NOP/c1-3-13-28(14-4-1)35(29-15-5-2-6-16-29)31-18-10-9-17-30(31)32-33-27(23-34-32)22-24-19-20-25-11-7-8-12-26(25)21-24/h1-21,27H,22-23H2/t27-/m0/s1
InChIKeyNZVMPBOJJVYVRP-MHZLTWQESA-N
XLogP5.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 55.99
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-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane (CID 58626967) is [2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccccc2C2=N[C@@H](Cc3ccc4ccccc4c3)CO2)cc1.
What is the InChIKey of [2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The InChIKey is NZVMPBOJJVYVRP-MHZLTWQESA-N. The full InChI is InChI=1S/C32H26NOP/c1-3-13-28(14-4-1)35(29-15-5-2-6-16-29)31-18-10-9-17-30(31)32-33-27(23-34-32)22-24-19-20-25-11-7-8-12-26(25)21-24/h1-21,27H,22-23H2/t27-/m0/s1.
What are the key properties of [2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
[2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane has a molecular weight of 471.54 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 58626967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).