2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C18H25N5O3S — CID 39722478

IUPAC2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCc1cc(CN2CCN(CC(=O)NC(=O)NCCc3cccs3)CC2)on1
InChIInChI=1S/C18H25N5O3S/c1-14-11-15(26-21-14)12-22-6-8-23(9-7-22)13-17(24)20-18(25)19-5-4-16-3-2-10-27-16/h2-3,10-11H,4-9,12-13H2,1H3,(H2,19,20,24,25)
InChIKeyFEYXFTPQCKHVFH-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.23
Rot. Bonds7

About 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 39722478) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID39722478
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCc1cc(CN2CCN(CC(=O)NC(=O)NCCc3cccs3)CC2)on1
InChIInChI=1S/C18H25N5O3S/c1-14-11-15(26-21-14)12-22-6-8-23(9-7-22)13-17(24)20-18(25)19-5-4-16-3-2-10-27-16/h2-3,10-11H,4-9,12-13H2,1H3,(H2,19,20,24,25)
InChIKeyFEYXFTPQCKHVFH-UHFFFAOYSA-N
XLogP1.23
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27133290
N-ethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722178
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 30415975
2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 49130402
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71789714
N-(3,4-dimethylphenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30147759
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 87015166
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 3834876
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 95981495

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 39722478) is 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is Cc1cc(CN2CCN(CC(=O)NC(=O)NCCc3cccs3)CC2)on1.
What is the InChIKey of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is FEYXFTPQCKHVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-14-11-15(26-21-14)12-22-6-8-23(9-7-22)13-17(24)20-18(25)19-5-4-16-3-2-10-27-16/h2-3,10-11H,4-9,12-13H2,1H3,(H2,19,20,24,25).
What are the key properties of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 391.50 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 39722478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).