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

C22H27N2OP — CID 101166328

IUPACdiphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane
SMILESCC(C)[C@H]1COC([C@@H]2CCCN2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H27N2OP/c1-17(2)20-16-25-22(23-20)21-14-9-15-24(21)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-21H,9,14-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyOGRLTUDSZRCRDO-RTWAWAEBSA-N
MW366.44 g/mol
LogP3.95
Rot. Bonds5

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

diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane (PubChem CID 101166328) has the molecular formula C22H27N2OP and a molecular weight of 366.44 g/mol. Its IUPAC name is diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane
PubChem CID101166328
Molecular FormulaC22H27N2OP
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Namediphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane
SMILESCC(C)[C@H]1COC([C@@H]2CCCN2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H27N2OP/c1-17(2)20-16-25-22(23-20)21-14-9-15-24(21)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-21H,9,14-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyOGRLTUDSZRCRDO-RTWAWAEBSA-N
XLogP3.95
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane?
The IUPAC name of diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane (CID 101166328) is diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane.
What is the SMILES notation for diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane?
The canonical SMILES for diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane is CC(C)[C@H]1COC([C@@H]2CCCN2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane?
The InChIKey is OGRLTUDSZRCRDO-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H27N2OP/c1-17(2)20-16-25-22(23-20)21-14-9-15-24(21)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-21H,9,14-16H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane?
diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane has a molecular weight of 366.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane is sourced from PubChem (CID 101166328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).