2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide

C17H19N5O5S — CID 73344585

IUPAC2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(CCN2CCC(=O)NC2=O)o1
InChIInChI=1S/C17H19N5O5S/c1-26-12-5-3-2-4-11(12)18-14(24)10-28-17-21-20-15(27-17)7-9-22-8-6-13(23)19-16(22)25/h2-5H,6-10H2,1H3,(H,18,24)(H,19,23,25)
InChIKeyKZKVPEZEVBZZAZ-UHFFFAOYSA-N
MW405.44 g/mol
LogP1.29
Rot. Bonds8

About 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide

2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 73344585) has the molecular formula C17H19N5O5S and a molecular weight of 405.44 g/mol. Its IUPAC name is 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
PubChem CID73344585
Molecular FormulaC17H19N5O5S
Molecular Weight405.44 g/mol
Exact Mass405.11
IUPAC Name2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(CCN2CCC(=O)NC2=O)o1
InChIInChI=1S/C17H19N5O5S/c1-26-12-5-3-2-4-11(12)18-14(24)10-28-17-21-20-15(27-17)7-9-22-8-6-13(23)19-16(22)25/h2-5H,6-10H2,1H3,(H,18,24)(H,19,23,25)
InChIKeyKZKVPEZEVBZZAZ-UHFFFAOYSA-N
XLogP1.29
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 74776583
N-(2-methoxyphenyl)-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1076584
2-[[5-[4-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 16761436
3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 4220668
2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 126019529
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 42208990
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 102629880
N-(2-methoxyphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1117444
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3873196
N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3941969
N-(2,4-dimethoxyphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4041118
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3918343

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide (CID 73344585) is 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nnc(CCN2CCC(=O)NC2=O)o1.
What is the InChIKey of 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is KZKVPEZEVBZZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5S/c1-26-12-5-3-2-4-11(12)18-14(24)10-28-17-21-20-15(27-17)7-9-22-8-6-13(23)19-16(22)25/h2-5H,6-10H2,1H3,(H,18,24)(H,19,23,25).
What are the key properties of 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide?
2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 405.44 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 73344585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).