N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H12F3N3O2 — CID 79261456

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1noc(NC(=O)CNCC(F)(F)F)c1C
InChIInChI=1S/C9H12F3N3O2/c1-5-6(2)15-17-8(5)14-7(16)3-13-4-9(10,11)12/h13H,3-4H2,1-2H3,(H,14,16)
InChIKeyGINVYOFWTXIPQA-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.38
Rot. Bonds4

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79261456) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79261456
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1noc(NC(=O)CNCC(F)(F)F)c1C
InChIInChI=1S/C9H12F3N3O2/c1-5-6(2)15-17-8(5)14-7(16)3-13-4-9(10,11)12/h13H,3-4H2,1-2H3,(H,14,16)
InChIKeyGINVYOFWTXIPQA-UHFFFAOYSA-N
XLogP1.38
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79261456) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1noc(NC(=O)CNCC(F)(F)F)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is GINVYOFWTXIPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-5-6(2)15-17-8(5)14-7(16)3-13-4-9(10,11)12/h13H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 251.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79261456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).