2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C20H23F3N4O3S — CID 55640472

IUPAC2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)oc1C
InChIInChI=1S/C20H23F3N4O3S/c1-13-14(2)30-19(24-13)31-12-18(29)27-9-7-26(8-10-27)11-17(28)25-16-6-4-3-5-15(16)20(21,22)23/h3-6H,7-12H2,1-2H3,(H,25,28)
InChIKeyKTXDQBBXBJQKEU-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.19
Rot. Bonds6

About 2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 55640472) has the molecular formula C20H23F3N4O3S and a molecular weight of 456.49 g/mol. Its IUPAC name is 2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID55640472
Molecular FormulaC20H23F3N4O3S
Molecular Weight456.49 g/mol
Exact Mass456.14
IUPAC Name2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)oc1C
InChIInChI=1S/C20H23F3N4O3S/c1-13-14(2)30-19(24-13)31-12-18(29)27-9-7-26(8-10-27)11-17(28)25-16-6-4-3-5-15(16)20(21,22)23/h3-6H,7-12H2,1-2H3,(H,25,28)
InChIKeyKTXDQBBXBJQKEU-UHFFFAOYSA-N
XLogP3.19
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9458380
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9224136
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545
2-[4-[2-[(4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135423584
2-[4-[2-(cyanomethylsulfanyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39933397
2-[4-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 5165846
2-[4-[2-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547533
2-[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547623
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6472287
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 55640472) is 2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1nc(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)oc1C.
What is the InChIKey of 2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KTXDQBBXBJQKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3S/c1-13-14(2)30-19(24-13)31-12-18(29)27-9-7-26(8-10-27)11-17(28)25-16-6-4-3-5-15(16)20(21,22)23/h3-6H,7-12H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 456.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55640472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).