[(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane

C23H29N2OP — CID 101227018

IUPAC[(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane
SMILESCC(C)(C)[C@@H]1COC([C@@H]2CCCN2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H29N2OP/c1-23(2,3)21-17-26-22(24-21)20-15-10-16-25(20)27(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-21H,10,15-17H2,1-3H3/t20-,21-/m0/s1
InChIKeyOVXWZUJBTHTJQR-SFTDATJTSA-N
MW380.47 g/mol
LogP4.34
Rot. Bonds4

About [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane

[(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane (PubChem CID 101227018) has the molecular formula C23H29N2OP and a molecular weight of 380.47 g/mol. Its IUPAC name is [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane
PubChem CID101227018
Molecular FormulaC23H29N2OP
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name[(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane
SMILESCC(C)(C)[C@@H]1COC([C@@H]2CCCN2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H29N2OP/c1-23(2,3)21-17-26-22(24-21)20-15-10-16-25(20)27(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-21H,10,15-17H2,1-3H3/t20-,21-/m0/s1
InChIKeyOVXWZUJBTHTJQR-SFTDATJTSA-N
XLogP4.34
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[(1S,3R,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 11286360
Dqwrxivowyfkgx-jsilxlissa-
CID 21635402
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-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane
CID 70877081
[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 70940383
4-Diphenylphosphanyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid
CID 91582242
[5-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 117757644
[(5S)-5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 117766461
(E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine
CID 10883783
CID 10907193
CID 10907193
1-[(2S,4S)-4-diphenylphosphanyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 11015051

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane?
The IUPAC name of [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane (CID 101227018) is [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane.
What is the SMILES notation for [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane?
The canonical SMILES for [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane is CC(C)(C)[C@@H]1COC([C@@H]2CCCN2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane?
The InChIKey is OVXWZUJBTHTJQR-SFTDATJTSA-N. The full InChI is InChI=1S/C23H29N2OP/c1-23(2,3)21-17-26-22(24-21)20-15-10-16-25(20)27(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-21H,10,15-17H2,1-3H3/t20-,21-/m0/s1.
What are the key properties of [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane?
[(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane has a molecular weight of 380.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-diphenylphosphane is sourced from PubChem (CID 101227018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).