N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide

C20H21ClN4O2S — CID 9117427

IUPACN-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2coc(-c3cccs3)n2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H21ClN4O2S/c21-16-4-1-2-5-17(16)23-19(26)13-25-9-7-24(8-10-25)12-15-14-27-20(22-15)18-6-3-11-28-18/h1-6,11,14H,7-10,12-13H2,(H,23,26)
InChIKeyHGZGIIDPYPVKFM-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.81
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 9117427) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID9117427
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC NameN-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2coc(-c3cccs3)n2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H21ClN4O2S/c21-16-4-1-2-5-17(16)23-19(26)13-25-9-7-24(8-10-25)12-15-14-27-20(22-15)18-6-3-11-28-18/h1-6,11,14H,7-10,12-13H2,(H,23,26)
InChIKeyHGZGIIDPYPVKFM-UHFFFAOYSA-N
XLogP3.81
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-1-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide (CID 9117427) is N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2coc(-c3cccs3)n2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is HGZGIIDPYPVKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c21-16-4-1-2-5-17(16)23-19(26)13-25-9-7-24(8-10-25)12-15-14-27-20(22-15)18-6-3-11-28-18/h1-6,11,14H,7-10,12-13H2,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 416.93 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9117427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).