3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine

C11H12BrN3O2S — CID 103971678

IUPAC3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1cc(-c2nc(C3COCCN3)no2)sc1Br
InChIInChI=1S/C11H12BrN3O2S/c1-6-4-8(18-9(6)12)11-14-10(15-17-11)7-5-16-3-2-13-7/h4,7,13H,2-3,5H2,1H3
InChIKeyIHSNXURUAGTQGZ-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.53
Rot. Bonds2

About 3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine

3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971678) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971678
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1cc(-c2nc(C3COCCN3)no2)sc1Br
InChIInChI=1S/C11H12BrN3O2S/c1-6-4-8(18-9(6)12)11-14-10(15-17-11)7-5-16-3-2-13-7/h4,7,13H,2-3,5H2,1H3
InChIKeyIHSNXURUAGTQGZ-UHFFFAOYSA-N
XLogP2.53
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360122
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
3-(5-bromo-4-methylthiophen-2-yl)morpholine
CID 130059273
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 75484051
3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971569
3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 136883340
3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 107099560
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104672077
3-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971459
3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
CID 75484039
3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971687

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971678) is 3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine is Cc1cc(-c2nc(C3COCCN3)no2)sc1Br.
What is the InChIKey of 3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is IHSNXURUAGTQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-6-4-8(18-9(6)12)11-14-10(15-17-11)7-5-16-3-2-13-7/h4,7,13H,2-3,5H2,1H3.
What are the key properties of 3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 330.21 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).