(2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol

C20H22ClNO2 — CID 101117318

IUPAC(2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol
SMILESCC(C)[C@H]1COC([C@H](Cl)C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C20H22ClNO2/c1-14(2)17-13-24-19(22-17)18(21)20(23,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18,23H,13H2,1-2H3/t17-,18+/m1/s1
InChIKeyAGVNADQXRHMMNZ-MSOLQXFVSA-N
MW343.85 g/mol
LogP3.98
Rot. Bonds5

About (2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol

(2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol (PubChem CID 101117318) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is (2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol
PubChem CID101117318
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name(2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol
SMILESCC(C)[C@H]1COC([C@H](Cl)C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C20H22ClNO2/c1-14(2)17-13-24-19(22-17)18(21)20(23,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18,23H,13H2,1-2H3/t17-,18+/m1/s1
InChIKeyAGVNADQXRHMMNZ-MSOLQXFVSA-N
XLogP3.98
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-2-[(4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1-diphenylethanol
CID 134875262
2-chloro-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethanol
CID 135025081
2-chloro-1,1-bis(4-fluorophenyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethanol
CID 101040554
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol
CID 12969925
(2S)-2-chloro-2-[(4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1-diphenylethanol
CID 101117320
(2S)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol
CID 101117321
[(2R)-2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-diphenylmethanol
CID 57847690
[2-(4-Tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-diphenylmethanol
CID 76582094
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol
CID 140523519
1-chloro-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-methylbutan-2-ol
CID 10805022
2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol
CID 10914485
(4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11290676

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol?
The IUPAC name of (2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol (CID 101117318) is (2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol.
What is the SMILES notation for (2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol?
The canonical SMILES for (2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol is CC(C)[C@H]1COC([C@H](Cl)C(O)(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of (2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol?
The InChIKey is AGVNADQXRHMMNZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-14(2)17-13-24-19(22-17)18(21)20(23,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18,23H,13H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol?
(2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol has a molecular weight of 343.85 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol is sourced from PubChem (CID 101117318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).