N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide

C16H18N4O3S — CID 166285309

IUPACN-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide
SMILESCCCC(C(=O)NC(C)c1ncon1)n1sc2ccccc2c1=O
InChIInChI=1S/C16H18N4O3S/c1-3-6-12(15(21)18-10(2)14-17-9-23-19-14)20-16(22)11-7-4-5-8-13(11)24-20/h4-5,7-10,12H,3,6H2,1-2H3,(H,18,21)
InChIKeyLVGMDGSJSKKTKS-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.66
Rot. Bonds6

About N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide

N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide (PubChem CID 166285309) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide
PubChem CID166285309
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide
SMILESCCCC(C(=O)NC(C)c1ncon1)n1sc2ccccc2c1=O
InChIInChI=1S/C16H18N4O3S/c1-3-6-12(15(21)18-10(2)14-17-9-23-19-14)20-16(22)11-7-4-5-8-13(11)24-20/h4-5,7-10,12H,3,6H2,1-2H3,(H,18,21)
InChIKeyLVGMDGSJSKKTKS-UHFFFAOYSA-N
XLogP2.66
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide?
The IUPAC name of N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide (CID 166285309) is N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide.
What is the SMILES notation for N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide?
The canonical SMILES for N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide is CCCC(C(=O)NC(C)c1ncon1)n1sc2ccccc2c1=O.
What is the InChIKey of N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide?
The InChIKey is LVGMDGSJSKKTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-3-6-12(15(21)18-10(2)14-17-9-23-19-14)20-16(22)11-7-4-5-8-13(11)24-20/h4-5,7-10,12H,3,6H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide?
N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide has a molecular weight of 346.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)pentanamide is sourced from PubChem (CID 166285309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).