(1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol

C12H13BrN2O2 — CID 138017487

IUPAC(1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol
SMILESO[C@@H](CNCc1ccon1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2/c13-10-3-1-9(2-4-10)12(16)8-14-7-11-5-6-17-15-11/h1-6,12,14,16H,7-8H2/t12-/m0/s1
InChIKeyADKAHBIOODDSKT-LBPRGKRZSA-N
MW297.15 g/mol
LogP2.26
Rot. Bonds5

About (1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol

(1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol (PubChem CID 138017487) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol
PubChem CID138017487
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name(1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol
SMILESO[C@@H](CNCc1ccon1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2/c13-10-3-1-9(2-4-10)12(16)8-14-7-11-5-6-17-15-11/h1-6,12,14,16H,7-8H2/t12-/m0/s1
InChIKeyADKAHBIOODDSKT-LBPRGKRZSA-N
XLogP2.26
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
CID 125467354
1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81176957
methyl 2-bromo-3-(1,2-oxazol-3-ylmethylamino)propanoate
CID 103259745
1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81178583
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79495823
N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81171216
5-bromo-2-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721244
1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81178345
4-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170192
2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17332249
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97227840

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol?
The IUPAC name of (1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol (CID 138017487) is (1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol?
The canonical SMILES for (1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol is O[C@@H](CNCc1ccon1)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol?
The InChIKey is ADKAHBIOODDSKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-10-3-1-9(2-4-10)12(16)8-14-7-11-5-6-17-15-11/h1-6,12,14,16H,7-8H2/t12-/m0/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol?
(1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol has a molecular weight of 297.15 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol is sourced from PubChem (CID 138017487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).