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

C13H14BrN3O2 — CID 6624980

IUPAC4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESBrc1cccc(-c2nnc(CN3CCOCC3)o2)c1
InChIInChI=1S/C13H14BrN3O2/c14-11-3-1-2-10(8-11)13-16-15-12(19-13)9-17-4-6-18-7-5-17/h1-3,8H,4-7,9H2
InChIKeyZDODQIINVCDFCU-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.33
Rot. Bonds3

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

4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (PubChem CID 6624980) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
PubChem CID6624980
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESBrc1cccc(-c2nnc(CN3CCOCC3)o2)c1
InChIInChI=1S/C13H14BrN3O2/c14-11-3-1-2-10(8-11)13-16-15-12(19-13)9-17-4-6-18-7-5-17/h1-3,8H,4-7,9H2
InChIKeyZDODQIINVCDFCU-UHFFFAOYSA-N
XLogP2.33
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Bromophenyl)-5-phenyl-1,3,4-oxadiazole
CID 96737
1-Benzyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 3959338
2-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4,5-dichloropyridazin-3-one
CID 2530952
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-(3-Bromophenyl)-5-methyl-1,3,4-oxadiazole
CID 26966989
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-morpholin-4-yl-ethanone
CID 1122986
Ethyl 4-{[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine-1-carboxylate
CID 24761525
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

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (CID 6624980) is 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is Brc1cccc(-c2nnc(CN3CCOCC3)o2)c1.
What is the InChIKey of 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The InChIKey is ZDODQIINVCDFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-11-3-1-2-10(8-11)13-16-15-12(19-13)9-17-4-6-18-7-5-17/h1-3,8H,4-7,9H2.
What are the key properties of 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine has a molecular weight of 324.18 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 6624980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).