4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine

C15H18BrN3O2 — CID 18087170

IUPAC4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2nnc(-c3ccc(Br)cc3)o2)CC(C)O1
InChIInChI=1S/C15H18BrN3O2/c1-10-7-19(8-11(2)20-10)9-14-17-18-15(21-14)12-3-5-13(16)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyKSZPVWSPNGNFIT-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.11
Rot. Bonds3

About 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine

4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 18087170) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
PubChem CID18087170
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2nnc(-c3ccc(Br)cc3)o2)CC(C)O1
InChIInChI=1S/C15H18BrN3O2/c1-10-7-19(8-11(2)20-10)9-14-17-18-15(21-14)12-3-5-13(16)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyKSZPVWSPNGNFIT-UHFFFAOYSA-N
XLogP3.11
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 3959338
1-Ethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 8071224
2-Phenyl-5-(piperidylmethyl)-1,3,4-oxadiazole, chloride
CID 18775228
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-morpholin-4-yl-ethanone
CID 1122986
2-((4-Methylpiperazin-1-yl)methyl)-5-(p-tolyl)-1,3,4-oxadiazole
CID 8029557
1-Ethyl-4-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine
CID 8030976
1-Methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 8073747
Methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate
CID 8741633
2,6-Dimethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine;hydrochloride
CID 16192950
2-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 17428490
2-(4-Methylphenyl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 17582745
1-{[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methylpiperidine
CID 22432395

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine (CID 18087170) is 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine is CC1CN(Cc2nnc(-c3ccc(Br)cc3)o2)CC(C)O1.
What is the InChIKey of 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is KSZPVWSPNGNFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10-7-19(8-11(2)20-10)9-14-17-18-15(21-14)12-3-5-13(16)6-4-12/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 352.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 18087170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).