4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one

C16H16F3N3O2 — CID 75501677

IUPAC4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCc1cnc(CN2CCNC(=O)C2c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C16H16F3N3O2/c1-10-8-21-13(24-10)9-22-7-6-20-15(23)14(22)11-4-2-3-5-12(11)16(17,18)19/h2-5,8,14H,6-7,9H2,1H3,(H,20,23)
InChIKeyHIYQEHQVUJBCHE-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.67
Rot. Bonds3

About 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one

4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one (PubChem CID 75501677) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one
PubChem CID75501677
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCc1cnc(CN2CCNC(=O)C2c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C16H16F3N3O2/c1-10-8-21-13(24-10)9-22-7-6-20-15(23)14(22)11-4-2-3-5-12(11)16(17,18)19/h2-5,8,14H,6-7,9H2,1H3,(H,20,23)
InChIKeyHIYQEHQVUJBCHE-UHFFFAOYSA-N
XLogP2.67
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one?
The IUPAC name of 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one (CID 75501677) is 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one is Cc1cnc(CN2CCNC(=O)C2c2ccccc2C(F)(F)F)o1.
What is the InChIKey of 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one?
The InChIKey is HIYQEHQVUJBCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10-8-21-13(24-10)9-22-7-6-20-15(23)14(22)11-4-2-3-5-12(11)16(17,18)19/h2-5,8,14H,6-7,9H2,1H3,(H,20,23).
What are the key properties of 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one?
4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one has a molecular weight of 339.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 75501677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).