[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane

C27H28NOP — CID 163196597

IUPAC[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane
SMILESc1ccc(C[C@H]2COC(C3CCCC3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C27H28NOP/c1-4-11-21(12-5-1)19-22-20-29-27(28-22)25-17-10-18-26(25)30(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,22,25-26H,10,17-20H2/t22-,25?,26?/m0/s1
InChIKeyPEVIHPACHXZYSL-OIEGUCRUSA-N
MW413.50 g/mol
LogP5.33
Rot. Bonds6

About [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane

[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane (PubChem CID 163196597) has the molecular formula C27H28NOP and a molecular weight of 413.50 g/mol. Its IUPAC name is [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane
PubChem CID163196597
Molecular FormulaC27H28NOP
Molecular Weight413.50 g/mol
Exact Mass413.19
IUPAC Name[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane
SMILESc1ccc(C[C@H]2COC(C3CCCC3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C27H28NOP/c1-4-11-21(12-5-1)19-22-20-29-27(28-22)25-17-10-18-26(25)30(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,22,25-26H,10,17-20H2/t22-,25?,26?/m0/s1
InChIKeyPEVIHPACHXZYSL-OIEGUCRUSA-N
XLogP5.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.33
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

(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
[2-[(4R)-2-benzhydryl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane
CID 12178028
(R(R*,R*))-(+)-2,2'-(isopropylidenebis(4-benzyl-2-oxazoline)
CID 4660577
2,2'-Methylenebis((4S)-4-benzyl-4,5-dihydro-2-oxazole)
CID 11028000
2,2-Bis[(4S)-4-benzyl-2-oxazolin-2-yl]propane
CID 11125615
(4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 24746421
diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
CID 89264372
[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 89867606
2-tert-Butyl-(4R)-(2-diphenylphosphanyl-phenyl)-4,5-dihydro-oxazole
CID 11222940
2-tert-Butyl-(4R)-[2-(dicyclohexyl-phosphinothioyl)-phenyl]-4,5-dihydro-oxazole
CID 12178027
[2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-dicyclohexylphosphane
CID 12178029
Bis((R)-4-benzyl-4,5-dihydrooxazol-2-yl)methane
CID 20759766

Frequently Asked Questions

What is the IUPAC name of [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane?
The IUPAC name of [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane (CID 163196597) is [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane?
The canonical SMILES for [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane is c1ccc(C[C@H]2COC(C3CCCC3P(c3ccccc3)c3ccccc3)=N2)cc1.
What is the InChIKey of [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane?
The InChIKey is PEVIHPACHXZYSL-OIEGUCRUSA-N. The full InChI is InChI=1S/C27H28NOP/c1-4-11-21(12-5-1)19-22-20-29-27(28-22)25-17-10-18-26(25)30(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,22,25-26H,10,17-20H2/t22-,25?,26?/m0/s1.
What are the key properties of [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane?
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane has a molecular weight of 413.50 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane is sourced from PubChem (CID 163196597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).