2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide

C7H5ClF3N3O3 — CID 14050892

IUPAC2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1cc(C(F)(F)F)no1
InChIInChI=1S/C7H5ClF3N3O3/c8-2-4(15)12-6(16)13-5-1-3(14-17-5)7(9,10)11/h1H,2H2,(H2,12,13,15,16)
InChIKeyXNSUJQMDYYVVBQ-UHFFFAOYSA-N
MW271.58 g/mol
LogP1.58
Rot. Bonds2

About 2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide

2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide (PubChem CID 14050892) has the molecular formula C7H5ClF3N3O3 and a molecular weight of 271.58 g/mol. Its IUPAC name is 2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide
PubChem CID14050892
Molecular FormulaC7H5ClF3N3O3
Molecular Weight271.58 g/mol
Exact Mass271.00
IUPAC Name2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1cc(C(F)(F)F)no1
InChIInChI=1S/C7H5ClF3N3O3/c8-2-4(15)12-6(16)13-5-1-3(14-17-5)7(9,10)11/h1H,2H2,(H2,12,13,15,16)
InChIKeyXNSUJQMDYYVVBQ-UHFFFAOYSA-N
XLogP1.58
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.58
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide (CID 14050892) is 2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide is O=C(CCl)NC(=O)Nc1cc(C(F)(F)F)no1.
What is the InChIKey of 2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide?
The InChIKey is XNSUJQMDYYVVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N3O3/c8-2-4(15)12-6(16)13-5-1-3(14-17-5)7(9,10)11/h1H,2H2,(H2,12,13,15,16).
What are the key properties of 2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide?
2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide has a molecular weight of 271.58 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide is sourced from PubChem (CID 14050892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).