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

C24H23N5O3S2 — CID 46492606

IUPACN-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1)c1cccs1
InChIInChI=1S/C24H23N5O3S2/c30-23(20-4-2-14-34-20)25-15-17-5-7-18(8-6-17)24(31)29-11-9-28(10-12-29)16-21-26-22(27-32-21)19-3-1-13-33-19/h1-8,13-14H,9-12,15-16H2,(H,25,30)
InChIKeyLQBVRUPJLIXCSW-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.75
Rot. Bonds7

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

N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 46492606) has the molecular formula C24H23N5O3S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID46492606
Molecular FormulaC24H23N5O3S2
Molecular Weight493.61 g/mol
Exact Mass493.12
IUPAC NameN-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1)c1cccs1
InChIInChI=1S/C24H23N5O3S2/c30-23(20-4-2-14-34-20)25-15-17-5-7-18(8-6-17)24(31)29-11-9-28(10-12-29)16-21-26-22(27-32-21)19-3-1-13-33-19/h1-8,13-14H,9-12,15-16H2,(H,25,30)
InChIKeyLQBVRUPJLIXCSW-UHFFFAOYSA-N
XLogP3.75
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(methoxymethyl)phenyl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 26109899
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55483698
(4-butoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 32900914
N-[2-oxo-1-phenyl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 51113226
(2-chloroquinolin-6-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55824716
1H-indazol-3-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24610035
2-naphthalen-1-yl-N-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 16606338
(2-aminophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119946361
2-methyl-5-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]isoindole-1,3-dione
CID 24610075
N-[3-oxo-3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 55447156
(2-methylfuran-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30126332
(2,3-dimethylphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 32900756

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide (CID 46492606) is N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1)c1cccs1.
What is the InChIKey of N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is LQBVRUPJLIXCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S2/c30-23(20-4-2-14-34-20)25-15-17-5-7-18(8-6-17)24(31)29-11-9-28(10-12-29)16-21-26-22(27-32-21)19-3-1-13-33-19/h1-8,13-14H,9-12,15-16H2,(H,25,30).
What are the key properties of N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46492606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).