N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C15H17BrN4O3S — CID 20931197

IUPACN-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(CN2CCOCC2)o1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN4O3S/c16-11-1-3-12(4-2-11)17-13(21)10-24-15-19-18-14(23-15)9-20-5-7-22-8-6-20/h1-4H,5-10H2,(H,17,21)
InChIKeyAJXTYOPENVIQIY-UHFFFAOYSA-N
MW413.30 g/mol
LogP2.40
Rot. Bonds6

About N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 20931197) has the molecular formula C15H17BrN4O3S and a molecular weight of 413.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID20931197
Molecular FormulaC15H17BrN4O3S
Molecular Weight413.30 g/mol
Exact Mass412.02
IUPAC NameN-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(CN2CCOCC2)o1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN4O3S/c16-11-1-3-12(4-2-11)17-13(21)10-24-15-19-18-14(23-15)9-20-5-7-22-8-6-20/h1-4H,5-10H2,(H,17,21)
InChIKeyAJXTYOPENVIQIY-UHFFFAOYSA-N
XLogP2.40
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(4-acetylphenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 20931194
N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 30299893
N-(4-bromophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786729
N-(4-bromophenyl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1207136
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 3502705
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4310456
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylphenyl)acetamide
CID 5115761
[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylbutyl]azanium chloride
CID 44661787
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 17445227
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 102630125
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 39939541
2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26599953

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 20931197) is N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(CN2CCOCC2)o1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is AJXTYOPENVIQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O3S/c16-11-1-3-12(4-2-11)17-13(21)10-24-15-19-18-14(23-15)9-20-5-7-22-8-6-20/h1-4H,5-10H2,(H,17,21).
What are the key properties of N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 413.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 20931197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).