2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol

C15H20BrN3O2 — CID 60689002

IUPAC2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H20BrN3O2/c1-2-3-8-19(9-10-20)11-14-17-18-15(21-14)12-6-4-5-7-13(12)16/h4-7,20H,2-3,8-11H2,1H3
InChIKeyNSKUPFUPMWRFDN-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.09
Rot. Bonds8

About 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol (PubChem CID 60689002) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol
PubChem CID60689002
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H20BrN3O2/c1-2-3-8-19(9-10-20)11-14-17-18-15(21-14)12-6-4-5-7-13(12)16/h4-7,20H,2-3,8-11H2,1H3
InChIKeyNSKUPFUPMWRFDN-UHFFFAOYSA-N
XLogP3.09
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol?
The IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol (CID 60689002) is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol.
What is the SMILES notation for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol?
The canonical SMILES for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol is CCCCN(CCO)Cc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol?
The InChIKey is NSKUPFUPMWRFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-2-3-8-19(9-10-20)11-14-17-18-15(21-14)12-6-4-5-7-13(12)16/h4-7,20H,2-3,8-11H2,1H3.
What are the key properties of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol?
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol has a molecular weight of 354.25 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol is sourced from PubChem (CID 60689002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).