(R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane

C26H36NOP — CID 139111981

IUPAC(R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c([P@](C)[C@@H](c2ccccc2)C(C)(C)C2=N[C@@H](C(C)C)CO2)c(C)c1
InChIInChI=1S/C26H36NOP/c1-17(2)22-16-28-25(27-22)26(6,7)24(21-12-10-9-11-13-21)29(8)23-19(4)14-18(3)15-20(23)5/h9-15,17,22,24H,16H2,1-8H3/t22-,24+,29+/m1/s1
InChIKeyAASPIOMLZJHNPU-VTYUZOFQSA-N
MW409.55 g/mol
LogP6.57
Rot. Bonds6

About (R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane

(R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane (PubChem CID 139111981) has the molecular formula C26H36NOP and a molecular weight of 409.55 g/mol. Its IUPAC name is (R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Name(R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane
PubChem CID139111981
Molecular FormulaC26H36NOP
Molecular Weight409.55 g/mol
Exact Mass409.25
IUPAC Name(R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c([P@](C)[C@@H](c2ccccc2)C(C)(C)C2=N[C@@H](C(C)C)CO2)c(C)c1
InChIInChI=1S/C26H36NOP/c1-17(2)22-16-28-25(27-22)26(6,7)24(21-12-10-9-11-13-21)29(8)23-19(4)14-18(3)15-20(23)5/h9-15,17,22,24H,16H2,1-8H3/t22-,24+,29+/m1/s1
InChIKeyAASPIOMLZJHNPU-VTYUZOFQSA-N
XLogP6.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.55
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane with MolForge

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Related Compounds

(4S)-4-tert-butyl-2-[1-(2-iodophenyl)-1-phenylethyl]-4,5-dihydro-1,3-oxazole
CID 11750846
(S)-4-(tert-Butyl)-2-(1-(diphenylphosphanyl)-2-methylpropan-2-yl)-4,5-dihydrooxazole
CID 58510233
diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
CID 89264372
(4S)-4-[(2-fluoro-5-phenylphenyl)methyl]-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole
CID 161409461
diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane
CID 10792206
(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 12025113
(4S,4'S)-2,2'-[2-Phenyl-1-(phenylmethyl)ethylidene]bis[4-(1-methylethyl)-4,5-dihydrooxazole
CID 11258629
(S)-4-(tert-Butyl)-2-(2-(diphenylphosphino)benzyl)-4,5-dihydrooxazole
CID 11384061
(4S)-4-tert-butyl-2-(1,1-diphenylethyl)-4,5-dihydro-1,3-oxazole
CID 11426795
(4S,4'S)-2,2'-(1-Phenylpropane-2,2-diyl)bis(4-isopropyl-4,5-dihydrooxazole)
CID 25265875
(4S,4'S)-2,2'-(1,3-Diphenylpropane-2,2-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)
CID 101170637
(4S,4'S)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(4-isopropyl-4,5-dihydrooxazole)
CID 101583623

Frequently Asked Questions

What is the IUPAC name of (R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of (R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane (CID 139111981) is (R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for (R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for (R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane is Cc1cc(C)c([P@](C)[C@@H](c2ccccc2)C(C)(C)C2=N[C@@H](C(C)C)CO2)c(C)c1.
What is the InChIKey of (R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane?
The InChIKey is AASPIOMLZJHNPU-VTYUZOFQSA-N. The full InChI is InChI=1S/C26H36NOP/c1-17(2)22-16-28-25(27-22)26(6,7)24(21-12-10-9-11-13-21)29(8)23-19(4)14-18(3)15-20(23)5/h9-15,17,22,24H,16H2,1-8H3/t22-,24+,29+/m1/s1.
What are the key properties of (R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane?
(R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane has a molecular weight of 409.55 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 139111981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).