2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

C7H7ClF3N3O2 — CID 166431725

IUPAC2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESO=C(CCl)NCc1noc(CC(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3O2/c8-2-5(15)12-3-4-13-6(16-14-4)1-7(9,10)11/h1-3H2,(H,12,15)
InChIKeyJWRAVJQUFCKULT-UHFFFAOYSA-N
MW257.60 g/mol
LogP1.03
Rot. Bonds4

About 2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (PubChem CID 166431725) has the molecular formula C7H7ClF3N3O2 and a molecular weight of 257.60 g/mol. Its IUPAC name is 2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
PubChem CID166431725
Molecular FormulaC7H7ClF3N3O2
Molecular Weight257.60 g/mol
Exact Mass257.02
IUPAC Name2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESO=C(CCl)NCc1noc(CC(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3O2/c8-2-5(15)12-3-4-13-6(16-14-4)1-7(9,10)11/h1-3H2,(H,12,15)
InChIKeyJWRAVJQUFCKULT-UHFFFAOYSA-N
XLogP1.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.60
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 91762217
2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 146094614
[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61392905
4,4,4-trifluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 53098243
ethyl 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379501
ethyl 2-[[(2-chloroacetyl)amino]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 166415202
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106398458
2-ethyl-2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 103473235
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72908101
2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide
CID 166416285
2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436837
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide
CID 91794306

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (CID 166431725) is 2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is O=C(CCl)NCc1noc(CC(F)(F)F)n1.
What is the InChIKey of 2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The InChIKey is JWRAVJQUFCKULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O2/c8-2-5(15)12-3-4-13-6(16-14-4)1-7(9,10)11/h1-3H2,(H,12,15).
What are the key properties of 2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide has a molecular weight of 257.60 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is sourced from PubChem (CID 166431725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).