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

C21H26NOP — CID 170897211

IUPACdiphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane
SMILESCC(C)[C@@H]1COC(C(C)(C)P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C21H26NOP/c1-16(2)19-15-23-20(22-19)21(3,4)24(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/t19-/m0/s1
InChIKeyZNZFWFYCCAGUKU-IBGZPJMESA-N
MW339.42 g/mol
LogP4.35
Rot. Bonds5

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

diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane (PubChem CID 170897211) has the molecular formula C21H26NOP and a molecular weight of 339.42 g/mol. Its IUPAC name is diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane
PubChem CID170897211
Molecular FormulaC21H26NOP
Molecular Weight339.42 g/mol
Exact Mass339.18
IUPAC Namediphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane
SMILESCC(C)[C@@H]1COC(C(C)(C)P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C21H26NOP/c1-16(2)19-15-23-20(22-19)21(3,4)24(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/t19-/m0/s1
InChIKeyZNZFWFYCCAGUKU-IBGZPJMESA-N
XLogP4.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane
CID 170897725
2-[1,3-diphenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 72772752
1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one
CID 101390519
diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane
CID 58644968
4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 70584316
dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane
CID 11040094
(4S)-2-[phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102082599
diphenyl-[(1S)-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane
CID 121477935
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane
CID 70877075
diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane
CID 134992492
diphenyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopenta-1,3-dien-1-yl]phosphane
CID 78076218

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane?
The IUPAC name of diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane (CID 170897211) is diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane.
What is the SMILES notation for diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane?
The canonical SMILES for diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane is CC(C)[C@@H]1COC(C(C)(C)P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane?
The InChIKey is ZNZFWFYCCAGUKU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26NOP/c1-16(2)19-15-23-20(22-19)21(3,4)24(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/t19-/m0/s1.
What are the key properties of diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane?
diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane has a molecular weight of 339.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane is sourced from PubChem (CID 170897211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).