[2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid

C8H11F3N2O4 — CID 71280113

IUPAC[2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid
SMILESC[C@@H](N)c1nc(CO)co1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O2.C2HF3O2/c1-4(7)6-8-5(2-9)3-10-6;3-2(4,5)1(6)7/h3-4,9H,2,7H2,1H3;(H,6,7)/t4-;/m1./s1
InChIKeyAQLSCIVRDLNZTE-PGMHMLKASA-N
MW256.18 g/mol
LogP0.82
Rot. Bonds2

About [2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid

[2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid (PubChem CID 71280113) has the molecular formula C8H11F3N2O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is [2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid
PubChem CID71280113
Molecular FormulaC8H11F3N2O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Name[2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid
SMILESC[C@@H](N)c1nc(CO)co1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O2.C2HF3O2/c1-4(7)6-8-5(2-9)3-10-6;3-2(4,5)1(6)7/h3-4,9H,2,7H2,1H3;(H,6,7)/t4-;/m1./s1
InChIKeyAQLSCIVRDLNZTE-PGMHMLKASA-N
XLogP0.82
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid (CID 71280113) is [2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid is C[C@@H](N)c1nc(CO)co1.O=C(O)C(F)(F)F.
What is the InChIKey of [2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
The InChIKey is AQLSCIVRDLNZTE-PGMHMLKASA-N. The full InChI is InChI=1S/C6H10N2O2.C2HF3O2/c1-4(7)6-8-5(2-9)3-10-6;3-2(4,5)1(6)7/h3-4,9H,2,7H2,1H3;(H,6,7)/t4-;/m1./s1.
What are the key properties of [2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
[2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid has a molecular weight of 256.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-aminoethyl]-1,3-oxazol-4-yl]methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71280113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).