3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol

C14H18BrN3O2 — CID 115669583

IUPAC3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H18BrN3O2/c1-2-18(8-3-9-19)10-13-16-17-14(20-13)11-4-6-12(15)7-5-11/h4-7,19H,2-3,8-10H2,1H3
InChIKeyDGGKATUZLRLWJK-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.70
Rot. Bonds7

About 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol

3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol (PubChem CID 115669583) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol
PubChem CID115669583
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H18BrN3O2/c1-2-18(8-3-9-19)10-13-16-17-14(20-13)11-4-6-12(15)7-5-11/h4-7,19H,2-3,8-10H2,1H3
InChIKeyDGGKATUZLRLWJK-UHFFFAOYSA-N
XLogP2.70
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Dimethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine;hydrochloride
CID 16192950
1-{[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methylpiperidine
CID 22432395
Ethyl 4-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine-1-carboxylate
CID 24761544
Ethyl 1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-piperidinecarboxylate
CID 22432396
1-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine
CID 7463510
2,6-Dimethyl-4-[(5-phenyl(1,3,4-oxadiazol-2-yl))methyl]morpholine
CID 3163810
4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
CID 17563393
4-(Hydroxymethyl)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-azepanol
CID 56885305
(1-{[5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-YL]methyl}-3-propylpiperidin-3-YL)methanol
CID 70776100
Bis(2-methylpropyl)[(5-phenyl-1,3,4-oxadiazol-2-YL)methyl]amine
CID 3889090
4-[[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 6624980
N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
CID 6625015

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol?
The IUPAC name of 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol (CID 115669583) is 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol?
The canonical SMILES for 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol is CCN(CCCO)Cc1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol?
The InChIKey is DGGKATUZLRLWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-2-18(8-3-9-19)10-13-16-17-14(20-13)11-4-6-12(15)7-5-11/h4-7,19H,2-3,8-10H2,1H3.
What are the key properties of 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol?
3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol has a molecular weight of 340.22 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol is sourced from PubChem (CID 115669583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).