N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C15H16Cl2N4O3S — CID 30299893

IUPACN-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(CN2CCOCC2)o1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H16Cl2N4O3S/c16-10-2-1-3-11(17)14(10)18-12(22)9-25-15-20-19-13(24-15)8-21-4-6-23-7-5-21/h1-3H,4-9H2,(H,18,22)
InChIKeyIZNURGXAJGHREZ-UHFFFAOYSA-N
MW403.29 g/mol
LogP2.94
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 30299893) has the molecular formula C15H16Cl2N4O3S and a molecular weight of 403.29 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID30299893
Molecular FormulaC15H16Cl2N4O3S
Molecular Weight403.29 g/mol
Exact Mass402.03
IUPAC NameN-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(CN2CCOCC2)o1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H16Cl2N4O3S/c16-10-2-1-3-11(17)14(10)18-12(22)9-25-15-20-19-13(24-15)8-21-4-6-23-7-5-21/h1-3H,4-9H2,(H,18,22)
InChIKeyIZNURGXAJGHREZ-UHFFFAOYSA-N
XLogP2.94
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 30299893) is N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(CN2CCOCC2)o1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is IZNURGXAJGHREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O3S/c16-10-2-1-3-11(17)14(10)18-12(22)9-25-15-20-19-13(24-15)8-21-4-6-23-7-5-21/h1-3H,4-9H2,(H,18,22).
What are the key properties of N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 403.29 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 30299893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).