(2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid

C13H17F3N2O3 — CID 170984586

IUPAC(2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCC1CCN(Cc2ccccc2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N2O.C2HF3O2/c12-8-11-6-7-13(14-11)9-10-4-2-1-3-5-10;3-2(4,5)1(6)7/h1-5,11H,6-9,12H2;(H,6,7)
InChIKeyPMKKOOZQPLBRFS-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.78
Rot. Bonds3

About (2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid

(2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 170984586) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is (2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID170984586
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name(2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCC1CCN(Cc2ccccc2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N2O.C2HF3O2/c12-8-11-6-7-13(14-11)9-10-4-2-1-3-5-10;3-2(4,5)1(6)7/h1-5,11H,6-9,12H2;(H,6,7)
InChIKeyPMKKOOZQPLBRFS-UHFFFAOYSA-N
XLogP1.78
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid (CID 170984586) is (2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid is NCC1CCN(Cc2ccccc2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of (2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is PMKKOOZQPLBRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2HF3O2/c12-8-11-6-7-13(14-11)9-10-4-2-1-3-5-10;3-2(4,5)1(6)7/h1-5,11H,6-9,12H2;(H,6,7).
What are the key properties of (2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid?
(2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 306.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,2-oxazolidin-5-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170984586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).