N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide

C20H21N5O3S — CID 26109887

IUPACN-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1
InChIInChI=1S/C20H21N5O3S/c1-14(26)21-16-5-2-4-15(12-16)20(27)25-9-7-24(8-10-25)13-18-22-19(23-28-18)17-6-3-11-29-17/h2-6,11-12H,7-10,13H2,1H3,(H,21,26)
InChIKeyBULNBEHXFUHZND-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.71
Rot. Bonds5

About N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide

N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 26109887) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide
PubChem CID26109887
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1
InChIInChI=1S/C20H21N5O3S/c1-14(26)21-16-5-2-4-15(12-16)20(27)25-9-7-24(8-10-25)13-18-22-19(23-28-18)17-6-3-11-29-17/h2-6,11-12H,7-10,13H2,1H3,(H,21,26)
InChIKeyBULNBEHXFUHZND-UHFFFAOYSA-N
XLogP2.71
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide (CID 26109887) is N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1.
What is the InChIKey of N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is BULNBEHXFUHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-14(26)21-16-5-2-4-15(12-16)20(27)25-9-7-24(8-10-25)13-18-22-19(23-28-18)17-6-3-11-29-17/h2-6,11-12H,7-10,13H2,1H3,(H,21,26).
What are the key properties of N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide?
N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 411.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 26109887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).