[(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane

C21H25N2OP — CID 101166330

IUPAC[(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane
SMILESCC1(C)COC([C@@H]2CCCN2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C21H25N2OP/c1-21(2)16-24-20(22-21)19-14-9-15-23(19)25(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,9,14-16H2,1-2H3/t19-/m0/s1
InChIKeyMDKZDNBRPLWTNA-IBGZPJMESA-N
MW352.42 g/mol
LogP3.71
Rot. Bonds4

About [(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane

[(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane (PubChem CID 101166330) has the molecular formula C21H25N2OP and a molecular weight of 352.42 g/mol. Its IUPAC name is [(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane
PubChem CID101166330
Molecular FormulaC21H25N2OP
Molecular Weight352.42 g/mol
Exact Mass352.17
IUPAC Name[(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane
SMILESCC1(C)COC([C@@H]2CCCN2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C21H25N2OP/c1-21(2)16-24-20(22-21)19-14-9-15-23(19)25(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,9,14-16H2,1-2H3/t19-/m0/s1
InChIKeyMDKZDNBRPLWTNA-IBGZPJMESA-N
XLogP3.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.71
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
(2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine
CID 135016751
(E)-2-diphenylphosphanyl-N-[2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 21635358
Dqwrxivowyfkgx-jsilxlissa-
CID 21635402
Pqxpsprfkcgfhz-lmfshbmrsa-
CID 21635403
tert-butyl (2S,4S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-diphenylphosphinothioylpyrrolidine-1-carboxylate
CID 23420297
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
[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 70991009
[2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane
CID 89435331

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane?
The IUPAC name of [(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane (CID 101166330) is [(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane.
What is the SMILES notation for [(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane?
The canonical SMILES for [(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane is CC1(C)COC([C@@H]2CCCN2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane?
The InChIKey is MDKZDNBRPLWTNA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N2OP/c1-21(2)16-24-20(22-21)19-14-9-15-23(19)25(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,9,14-16H2,1-2H3/t19-/m0/s1.
What are the key properties of [(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane?
[(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane has a molecular weight of 352.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrrolidin-1-yl]-diphenylphosphane is sourced from PubChem (CID 101166330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).