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

C14H20F3N5O3 — CID 30152517

IUPAC2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCc1cc(CN2CCN(CC(=O)NC(=O)NCC(F)(F)F)CC2)on1
InChIInChI=1S/C14H20F3N5O3/c1-10-6-11(25-20-10)7-21-2-4-22(5-3-21)8-12(23)19-13(24)18-9-14(15,16)17/h6H,2-5,7-9H2,1H3,(H2,18,19,23,24)
InChIKeyYMICOCBTSSIQQF-UHFFFAOYSA-N
MW363.34 g/mol
LogP0.49
Rot. Bonds5

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

2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 30152517) has the molecular formula C14H20F3N5O3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID30152517
Molecular FormulaC14H20F3N5O3
Molecular Weight363.34 g/mol
Exact Mass363.15
IUPAC Name2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCc1cc(CN2CCN(CC(=O)NC(=O)NCC(F)(F)F)CC2)on1
InChIInChI=1S/C14H20F3N5O3/c1-10-6-11(25-20-10)7-21-2-4-22(5-3-21)8-12(23)19-13(24)18-9-14(15,16)17/h6H,2-5,7-9H2,1H3,(H2,18,19,23,24)
InChIKeyYMICOCBTSSIQQF-UHFFFAOYSA-N
XLogP0.49
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 30152517) is 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is Cc1cc(CN2CCN(CC(=O)NC(=O)NCC(F)(F)F)CC2)on1.
What is the InChIKey of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is YMICOCBTSSIQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O3/c1-10-6-11(25-20-10)7-21-2-4-22(5-3-21)8-12(23)19-13(24)18-9-14(15,16)17/h6H,2-5,7-9H2,1H3,(H2,18,19,23,24).
What are the key properties of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 363.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 30152517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).