[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone

C19H16BrN3O3 — CID 50779040

IUPAC[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2noc(-c3ccccc3Br)n2)c1)N1CCOCC1
InChIInChI=1S/C19H16BrN3O3/c20-16-7-2-1-6-15(16)18-21-17(22-26-18)13-4-3-5-14(12-13)19(24)23-8-10-25-11-9-23/h1-7,12H,8-11H2
InChIKeyFTMRECWKHZTCOO-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.64
Rot. Bonds3

About [3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone

[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 50779040) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is [3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID50779040
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2noc(-c3ccccc3Br)n2)c1)N1CCOCC1
InChIInChI=1S/C19H16BrN3O3/c20-16-7-2-1-6-15(16)18-21-17(22-26-18)13-4-3-5-14(12-13)19(24)23-8-10-25-11-9-23/h1-7,12H,8-11H2
InChIKeyFTMRECWKHZTCOO-UHFFFAOYSA-N
XLogP3.64
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50778885
3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 50778877
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 20973307
[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 50779143
[3-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321651
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50746017
[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 170459987
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159299001
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 46321655

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone (CID 50779040) is [3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(-c2noc(-c3ccccc3Br)n2)c1)N1CCOCC1.
What is the InChIKey of [3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is FTMRECWKHZTCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c20-16-7-2-1-6-15(16)18-21-17(22-26-18)13-4-3-5-14(12-13)19(24)23-8-10-25-11-9-23/h1-7,12H,8-11H2.
What are the key properties of [3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 414.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50779040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).