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

C15H19BrN2O2 — CID 111487479

IUPAC2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C15H19BrN2O2/c1-2-6-18(7-8-19)11-15-17-10-14(20-15)12-4-3-5-13(16)9-12/h3-5,9-10,19H,2,6-8,11H2,1H3
InChIKeyKDBGUYLIBCDBEP-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.31
Rot. Bonds7

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

2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol (PubChem CID 111487479) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
PubChem CID111487479
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C15H19BrN2O2/c1-2-6-18(7-8-19)11-15-17-10-14(20-15)12-4-3-5-13(16)9-12/h3-5,9-10,19H,2,6-8,11H2,1H3
InChIKeyKDBGUYLIBCDBEP-UHFFFAOYSA-N
XLogP3.31
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol (CID 111487479) is 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol is CCCN(CCO)Cc1ncc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol?
The InChIKey is KDBGUYLIBCDBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-2-6-18(7-8-19)11-15-17-10-14(20-15)12-4-3-5-13(16)9-12/h3-5,9-10,19H,2,6-8,11H2,1H3.
What are the key properties of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol?
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol has a molecular weight of 339.23 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol is sourced from PubChem (CID 111487479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).