2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol

C19H20ClNO2 — CID 10914485

IUPAC2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol
SMILESCC1(C)COC(C(Cl)C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C19H20ClNO2/c1-18(2)13-23-17(21-18)16(20)19(22,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,22H,13H2,1-2H3
InChIKeyCOCSFGBCCZVBBY-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.74
Rot. Bonds4

About 2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol

2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol (PubChem CID 10914485) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol.

Molecular Properties

Compound Name2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol
PubChem CID10914485
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol
SMILESCC1(C)COC(C(Cl)C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C19H20ClNO2/c1-18(2)13-23-17(21-18)16(20)19(22,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,22H,13H2,1-2H3
InChIKeyCOCSFGBCCZVBBY-UHFFFAOYSA-N
XLogP3.74
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-chloro-1,1-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethanol
CID 101117318
2-chloro-2-[(4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1-diphenylethanol
CID 134875262
(E)-1,4-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,4-diphenylbut-2-ene-1,4-diol
CID 135024581
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
(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol
CID 5473368
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1,3-triphenylprop-2-en-1-ol
CID 6521309
3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol
CID 11107612
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
[4-[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]phenyl]phenyl]methanol
CID 141812080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol?
The IUPAC name of 2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol (CID 10914485) is 2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol.
What is the SMILES notation for 2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol?
The canonical SMILES for 2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol is CC1(C)COC(C(Cl)C(O)(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of 2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol?
The InChIKey is COCSFGBCCZVBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-18(2)13-23-17(21-18)16(20)19(22,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,22H,13H2,1-2H3.
What are the key properties of 2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol?
2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol has a molecular weight of 329.83 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylethanol is sourced from PubChem (CID 10914485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).