5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide

C11H16F3N5O2 — CID 63585010

IUPAC5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(CN2CCN(CC(F)(F)F)CC2)on1
InChIInChI=1S/C11H16F3N5O2/c12-11(13,14)7-19-3-1-18(2-4-19)6-8-5-9(17-21-8)10(20)16-15/h5H,1-4,6-7,15H2,(H,16,20)
InChIKeyGRZZLOCXDRPQNW-UHFFFAOYSA-N
MW307.28 g/mol
LogP-0.04
Rot. Bonds4

About 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide

5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63585010) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63585010
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(CN2CCN(CC(F)(F)F)CC2)on1
InChIInChI=1S/C11H16F3N5O2/c12-11(13,14)7-19-3-1-18(2-4-19)6-8-5-9(17-21-8)10(20)16-15/h5H,1-4,6-7,15H2,(H,16,20)
InChIKeyGRZZLOCXDRPQNW-UHFFFAOYSA-N
XLogP-0.04
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide (CID 63585010) is 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(CN2CCN(CC(F)(F)F)CC2)on1.
What is the InChIKey of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is GRZZLOCXDRPQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c12-11(13,14)7-19-3-1-18(2-4-19)6-8-5-9(17-21-8)10(20)16-15/h5H,1-4,6-7,15H2,(H,16,20).
What are the key properties of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 307.28 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63585010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).