2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol

C14H17BrN2O3 — CID 111487788

IUPAC2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C14H17BrN2O3/c15-12-3-1-2-11(8-12)13-9-16-14(20-13)10-17(4-6-18)5-7-19/h1-3,8-9,18-19H,4-7,10H2
InChIKeyIGIWTCSSBPPEEY-UHFFFAOYSA-N
MW341.20 g/mol
LogP1.89
Rot. Bonds7

About 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol

2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 111487788) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID111487788
Molecular FormulaC14H17BrN2O3
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC Name2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C14H17BrN2O3/c15-12-3-1-2-11(8-12)13-9-16-14(20-13)10-17(4-6-18)5-7-19/h1-3,8-9,18-19H,4-7,10H2
InChIKeyIGIWTCSSBPPEEY-UHFFFAOYSA-N
XLogP1.89
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol (CID 111487788) is 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1ncc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is IGIWTCSSBPPEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-12-3-1-2-11(8-12)13-9-16-14(20-13)10-17(4-6-18)5-7-19/h1-3,8-9,18-19H,4-7,10H2.
What are the key properties of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 341.20 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 111487788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).