N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide

C15H24N6O2S — CID 47926544

IUPACN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
SMILESCCN(CC)CCn1cc(NC(=O)CSCc2noc(C)n2)cn1
InChIInChI=1S/C15H24N6O2S/c1-4-20(5-2)6-7-21-9-13(8-16-21)18-15(22)11-24-10-14-17-12(3)23-19-14/h8-9H,4-7,10-11H2,1-3H3,(H,18,22)
InChIKeyZGMKXZBYIYOWPH-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.79
Rot. Bonds10

About N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide (PubChem CID 47926544) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
PubChem CID47926544
Molecular FormulaC15H24N6O2S
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
SMILESCCN(CC)CCn1cc(NC(=O)CSCc2noc(C)n2)cn1
InChIInChI=1S/C15H24N6O2S/c1-4-20(5-2)6-7-21-9-13(8-16-21)18-15(22)11-24-10-14-17-12(3)23-19-14/h8-9H,4-7,10-11H2,1-3H3,(H,18,22)
InChIKeyZGMKXZBYIYOWPH-UHFFFAOYSA-N
XLogP1.79
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide (CID 47926544) is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide is CCN(CC)CCn1cc(NC(=O)CSCc2noc(C)n2)cn1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The InChIKey is ZGMKXZBYIYOWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-4-20(5-2)6-7-21-9-13(8-16-21)18-15(22)11-24-10-14-17-12(3)23-19-14/h8-9H,4-7,10-11H2,1-3H3,(H,18,22).
What are the key properties of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide has a molecular weight of 352.46 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 47926544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).