2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol

C14H17BrN2O2 — CID 110932920

IUPAC2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1coc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN2O2/c1-2-17(7-8-18)9-13-10-19-14(16-13)11-3-5-12(15)6-4-11/h3-6,10,18H,2,7-9H2,1H3
InChIKeyGMGOLIUSGLKAQT-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.92
Rot. Bonds6

About 2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol

2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol (PubChem CID 110932920) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol
PubChem CID110932920
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1coc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN2O2/c1-2-17(7-8-18)9-13-10-19-14(16-13)11-3-5-12(15)6-4-11/h3-6,10,18H,2,7-9H2,1H3
InChIKeyGMGOLIUSGLKAQT-UHFFFAOYSA-N
XLogP2.92
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62021325
2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
CID 107485496
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-methoxyethyl)amino]ethanol
CID 111103117
3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol
CID 115669583
N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine
CID 56665279
3-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile
CID 56676186
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
7-bromo-2-[[ethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60685461
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol
CID 102676563
1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 110923051
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide
CID 87015036
N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 55542053

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol?
The IUPAC name of 2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol (CID 110932920) is 2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol?
The canonical SMILES for 2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol is CCN(CCO)Cc1coc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol?
The InChIKey is GMGOLIUSGLKAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-17(7-8-18)9-13-10-19-14(16-13)11-3-5-12(15)6-4-11/h3-6,10,18H,2,7-9H2,1H3.
What are the key properties of 2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol?
2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol has a molecular weight of 325.21 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol is sourced from PubChem (CID 110932920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).