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

C15H22F3N5O3 — CID 75402657

IUPAC2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESCc1cc(CN2CCN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC2)no1
InChIInChI=1S/C15H22F3N5O3/c1-10-7-12(21-26-10)8-22-3-5-23(6-4-22)11(2)13(24)20-14(25)19-9-15(16,17)18/h7,11H,3-6,8-9H2,1-2H3,(H2,19,20,24,25)
InChIKeyFYCJGDKZOJDDAD-UHFFFAOYSA-N
MW377.37 g/mol
LogP0.88
Rot. Bonds5

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

2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (PubChem CID 75402657) has the molecular formula C15H22F3N5O3 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
PubChem CID75402657
Molecular FormulaC15H22F3N5O3
Molecular Weight377.37 g/mol
Exact Mass377.17
IUPAC Name2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESCc1cc(CN2CCN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC2)no1
InChIInChI=1S/C15H22F3N5O3/c1-10-7-12(21-26-10)8-22-3-5-23(6-4-22)11(2)13(24)20-14(25)19-9-15(16,17)18/h7,11H,3-6,8-9H2,1-2H3,(H2,19,20,24,25)
InChIKeyFYCJGDKZOJDDAD-UHFFFAOYSA-N
XLogP0.88
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The IUPAC name of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (CID 75402657) is 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is Cc1cc(CN2CCN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC2)no1.
What is the InChIKey of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The InChIKey is FYCJGDKZOJDDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O3/c1-10-7-12(21-26-10)8-22-3-5-23(6-4-22)11(2)13(24)20-14(25)19-9-15(16,17)18/h7,11H,3-6,8-9H2,1-2H3,(H2,19,20,24,25).
What are the key properties of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide has a molecular weight of 377.37 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is sourced from PubChem (CID 75402657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).