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

C25H26NOP — CID 135006715

IUPACdiphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(Cc2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C25H26NOP/c1-19(2)23-18-27-25(26-23)17-20-11-9-10-16-24(20)28(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-16,19,23H,17-18H2,1-2H3/t23-/m1/s1
InChIKeyANXIGFYNGNEKSA-HSZRJFAPSA-N
MW387.46 g/mol
LogP4.44
Rot. Bonds6

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

diphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane (PubChem CID 135006715) has the molecular formula C25H26NOP and a molecular weight of 387.46 g/mol. Its IUPAC name is diphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane
PubChem CID135006715
Molecular FormulaC25H26NOP
Molecular Weight387.46 g/mol
Exact Mass387.18
IUPAC Namediphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(Cc2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C25H26NOP/c1-19(2)23-18-27-25(26-23)17-20-11-9-10-16-24(20)28(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-16,19,23H,17-18H2,1-2H3/t23-/m1/s1
InChIKeyANXIGFYNGNEKSA-HSZRJFAPSA-N
XLogP4.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.44
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]methyl]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane (CID 135006715) is diphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane is CC(C)[C@H]1COC(Cc2ccccc2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane?
The InChIKey is ANXIGFYNGNEKSA-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26NOP/c1-19(2)23-18-27-25(26-23)17-20-11-9-10-16-24(20)28(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-16,19,23H,17-18H2,1-2H3/t23-/m1/s1.
What are the key properties of diphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane?
diphenyl-[2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane has a molecular weight of 387.46 g/mol, XLogP of 4.44, 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]methyl]phenyl]phosphane is sourced from PubChem (CID 135006715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).