1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid

C6H6F3N3O4 — CID 143419489

IUPAC1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid
SMILESNNC(=O)c1ccon1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H5N3O2.C2HF3O2/c5-6-4(8)3-1-2-9-7-3;3-2(4,5)1(6)7/h1-2H,5H2,(H,6,8);(H,6,7)
InChIKeyUUHGEAYHISWEJJ-UHFFFAOYSA-N
MW241.12 g/mol
LogP-0.09
Rot. Bonds1

About 1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid

1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid (PubChem CID 143419489) has the molecular formula C6H6F3N3O4 and a molecular weight of 241.12 g/mol. Its IUPAC name is 1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid
PubChem CID143419489
Molecular FormulaC6H6F3N3O4
Molecular Weight241.12 g/mol
Exact Mass241.03
IUPAC Name1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid
SMILESNNC(=O)c1ccon1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H5N3O2.C2HF3O2/c5-6-4(8)3-1-2-9-7-3;3-2(4,5)1(6)7/h1-2H,5H2,(H,6,8);(H,6,7)
InChIKeyUUHGEAYHISWEJJ-UHFFFAOYSA-N
XLogP-0.09
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid (CID 143419489) is 1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid is NNC(=O)c1ccon1.O=C(O)C(F)(F)F.
What is the InChIKey of 1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid?
The InChIKey is UUHGEAYHISWEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2.C2HF3O2/c5-6-4(8)3-1-2-9-7-3;3-2(4,5)1(6)7/h1-2H,5H2,(H,6,8);(H,6,7).
What are the key properties of 1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid?
1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid has a molecular weight of 241.12 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 143419489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).