(1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol

C23H22NO2P — CID 11494541

IUPAC(1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol
SMILESC[C@@H](O)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H22NO2P/c1-17(25)21-16-26-23(24-21)20-14-8-9-15-22(20)27(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,21,25H,16H2,1H3/t17-,21-/m1/s1
InChIKeyLJYFOKMKASRULC-DYESRHJHSA-N
MW375.41 g/mol
LogP2.97
Rot. Bonds5

About (1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol

(1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol (PubChem CID 11494541) has the molecular formula C23H22NO2P and a molecular weight of 375.41 g/mol. Its IUPAC name is (1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol
PubChem CID11494541
Molecular FormulaC23H22NO2P
Molecular Weight375.41 g/mol
Exact Mass375.14
IUPAC Name(1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol
SMILESC[C@@H](O)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H22NO2P/c1-17(25)21-16-26-23(24-21)20-14-8-9-15-22(20)27(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,21,25H,16H2,1H3/t17-,21-/m1/s1
InChIKeyLJYFOKMKASRULC-DYESRHJHSA-N
XLogP2.97
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane
CID 11040094
[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
CID 59863248
[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 127256029
diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium
CID 134992415
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
CID 176507761
CID 11249313
CID 11249313
bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
CID 139261079
bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
CID 102430668
[3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
CID 177406595
[2-[(4S)-4-(1-adamantyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 58626935
diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane
CID 58644968
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol?
The IUPAC name of (1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol (CID 11494541) is (1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for (1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol is C[C@@H](O)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of (1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol?
The InChIKey is LJYFOKMKASRULC-DYESRHJHSA-N. The full InChI is InChI=1S/C23H22NO2P/c1-17(25)21-16-26-23(24-21)20-14-8-9-15-22(20)27(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,21,25H,16H2,1H3/t17-,21-/m1/s1.
What are the key properties of (1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol?
(1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol has a molecular weight of 375.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 11494541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).