N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H10F3N3O2 — CID 104600393

IUPACN-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1ccno1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-12-4-7(15)13-3-6-1-2-14-16-6/h1-2,12H,3-5H2,(H,13,15)
InChIKeyWIHDBBQJWFPNTD-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.44
Rot. Bonds5

About N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 104600393) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID104600393
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1ccno1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-12-4-7(15)13-3-6-1-2-14-16-6/h1-2,12H,3-5H2,(H,13,15)
InChIKeyWIHDBBQJWFPNTD-UHFFFAOYSA-N
XLogP0.44
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71986555
N-(4-isothiocyanatobutyl)-1,2-oxazole-5-carboxamide
CID 155530152
N-(2-aminoethyl)-1,2-oxazole-5-carboxamide
CID 60966581
N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 70457956
2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258437
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
(3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95903173
(3R)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95903174
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864934
1-(1,2-Oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103951484

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 104600393) is N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCc1ccno1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WIHDBBQJWFPNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)5-12-4-7(15)13-3-6-1-2-14-16-6/h1-2,12H,3-5H2,(H,13,15).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 237.18 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 104600393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).