N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H14ClN5O3S — CID 155816007

IUPACN-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(COc2cnc3ccccc3n2)o1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H14ClN5O3S/c20-12-4-3-5-13(8-12)22-16(26)11-29-19-25-24-18(28-19)10-27-17-9-21-14-6-1-2-7-15(14)23-17/h1-9H,10-11H2,(H,22,26)
InChIKeyZVOMHVJYHWEUSF-UHFFFAOYSA-N
MW427.87 g/mol
LogP3.98
Rot. Bonds7

About N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 155816007) has the molecular formula C19H14ClN5O3S and a molecular weight of 427.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID155816007
Molecular FormulaC19H14ClN5O3S
Molecular Weight427.87 g/mol
Exact Mass427.05
IUPAC NameN-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(COc2cnc3ccccc3n2)o1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H14ClN5O3S/c20-12-4-3-5-13(8-12)22-16(26)11-29-19-25-24-18(28-19)10-27-17-9-21-14-6-1-2-7-15(14)23-17/h1-9H,10-11H2,(H,22,26)
InChIKeyZVOMHVJYHWEUSF-UHFFFAOYSA-N
XLogP3.98
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chlorophenyl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1136006
N-(3-chlorophenyl)-2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 99944355
2-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethylazanium chloride
CID 44661009
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 52994583
N-(3-chlorophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1298857
2-[[5-[(3-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 1124651
5-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentylazanium chloride
CID 44662606
N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
N-(3-bromophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92645281
N-(3-bromo-4-chlorophenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126013956
N-(3-chlorophenyl)-2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1374929
2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 126345116

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 155816007) is N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(COc2cnc3ccccc3n2)o1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ZVOMHVJYHWEUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O3S/c20-12-4-3-5-13(8-12)22-16(26)11-29-19-25-24-18(28-19)10-27-17-9-21-14-6-1-2-7-15(14)23-17/h1-9H,10-11H2,(H,22,26).
What are the key properties of N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 427.87 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[5-(quinoxalin-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 155816007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).