2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

C8H12F3N3O3 — CID 112594276

IUPAC2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1CN(CC(=O)NCC(F)(F)F)C(=O)O1
InChIInChI=1S/C8H12F3N3O3/c9-8(10,11)4-13-6(15)3-14-2-5(1-12)17-7(14)16/h5H,1-4,12H2,(H,13,15)
InChIKeyIQIMXDOZLKAWPO-UHFFFAOYSA-N
MW255.20 g/mol
LogP-0.56
Rot. Bonds4

About 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112594276) has the molecular formula C8H12F3N3O3 and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112594276
Molecular FormulaC8H12F3N3O3
Molecular Weight255.20 g/mol
Exact Mass255.08
IUPAC Name2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1CN(CC(=O)NCC(F)(F)F)C(=O)O1
InChIInChI=1S/C8H12F3N3O3/c9-8(10,11)4-13-6(15)3-14-2-5(1-12)17-7(14)16/h5H,1-4,12H2,(H,13,15)
InChIKeyIQIMXDOZLKAWPO-UHFFFAOYSA-N
XLogP-0.56
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(cyclopropylmethyl)acetamide
CID 112594309
(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one
CID 59735311
2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 168700091
5-(aminomethyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-oxazolidin-2-one
CID 112594290
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide
CID 112594273
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 168504856
propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 112594210
5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 59742701
2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492407
5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one
CID 112594212
2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103195676
5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
CID 112594228

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 112594276) is 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCC1CN(CC(=O)NCC(F)(F)F)C(=O)O1.
What is the InChIKey of 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IQIMXDOZLKAWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O3/c9-8(10,11)4-13-6(15)3-14-2-5(1-12)17-7(14)16/h5H,1-4,12H2,(H,13,15).
What are the key properties of 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 255.20 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112594276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).