2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C8H10F3N3O2 — CID 106417894

IUPAC2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1ccno1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-13-7(15)4-12-3-6-1-2-14-16-6/h1-2,12H,3-5H2,(H,13,15)
InChIKeyKMSZKRPXIXNQAU-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.44
Rot. Bonds5

About 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106417894) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106417894
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1ccno1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-13-7(15)4-12-3-6-1-2-14-16-6/h1-2,12H,3-5H2,(H,13,15)
InChIKeyKMSZKRPXIXNQAU-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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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 106417894) is 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCc1ccno1)NCC(F)(F)F.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KMSZKRPXIXNQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)5-13-7(15)4-12-3-6-1-2-14-16-6/h1-2,12H,3-5H2,(H,13,15).
What are the key properties of 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)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 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106417894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).