(S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol

C18H22BrNO2 — CID 174589979

IUPAC(S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
SMILESO[C@@](c1ccccc1)(c1ncc(CCBr)o1)C1CCCCC1
InChIInChI=1S/C18H22BrNO2/c19-12-11-16-13-20-17(22-16)18(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,13,15,21H,2,5-6,9-12H2/t18-/m1/s1
InChIKeyVSKFDESQGHQPLJ-GOSISDBHSA-N
MW364.28 g/mol
LogP4.43
Rot. Bonds5

About (S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol

(S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol (PubChem CID 174589979) has the molecular formula C18H22BrNO2 and a molecular weight of 364.28 g/mol. Its IUPAC name is (S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol.

Molecular Properties

Compound Name(S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
PubChem CID174589979
Molecular FormulaC18H22BrNO2
Molecular Weight364.28 g/mol
Exact Mass363.08
IUPAC Name(S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
SMILESO[C@@](c1ccccc1)(c1ncc(CCBr)o1)C1CCCCC1
InChIInChI=1S/C18H22BrNO2/c19-12-11-16-13-20-17(22-16)18(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,13,15,21H,2,5-6,9-12H2/t18-/m1/s1
InChIKeyVSKFDESQGHQPLJ-GOSISDBHSA-N
XLogP4.43
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.43
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

(R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
CID 69189545
[5-(2-bromoethyl)thiophen-2-yl]methyl-[2-[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]ethyl]carbamic acid
CID 143937465
2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile
CID 59317013
(R)-cyclohexyl-phenyl-[5-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol
CID 59317092
(S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol
CID 59317031
(S)-[5-(1-azoniabicyclo[2.2.2]octan-1-ylmethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
CID 59226191
[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-(3-phenylpropyl)azanium
CID 59317021
cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol
CID 143736568
3-[3-[2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]ethyl-methylamino]propoxy]benzaldehyde
CID 87721226
[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-(4-methylpent-3-enyl)azanium bromide
CID 87449883
3-[3-[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]propylamino]-N-(4-formylphenyl)propanamide
CID 87731028
[2-(cycloheptyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]methyl-dimethyl-[2-(2-phenylethoxy)ethyl]azanium bromide
CID 25006690

Frequently Asked Questions

What is the IUPAC name of (S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol?
The IUPAC name of (S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol (CID 174589979) is (S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol.
What is the SMILES notation for (S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol?
The canonical SMILES for (S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol is O[C@@](c1ccccc1)(c1ncc(CCBr)o1)C1CCCCC1.
What is the InChIKey of (S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol?
The InChIKey is VSKFDESQGHQPLJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22BrNO2/c19-12-11-16-13-20-17(22-16)18(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,13,15,21H,2,5-6,9-12H2/t18-/m1/s1.
What are the key properties of (S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol?
(S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol has a molecular weight of 364.28 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol is sourced from PubChem (CID 174589979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).