(5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid

C10H13F3N2O6 — CID 166244617

IUPAC(5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NC[C@@H](C(=O)NOC2CCC2)O1
InChIInChI=1S/C8H12N2O4.C2HF3O2/c11-7(6-4-9-8(12)13-6)10-14-5-2-1-3-5;3-2(4,5)1(6)7/h5-6H,1-4H2,(H,9,12)(H,10,11);(H,6,7)/t6-;/m0./s1
InChIKeyYCWUIIAFFGVPAT-RGMNGODLSA-N
MW314.22 g/mol
LogP0.33
Rot. Bonds3

About (5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid

(5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166244617) has the molecular formula C10H13F3N2O6 and a molecular weight of 314.22 g/mol. Its IUPAC name is (5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166244617
Molecular FormulaC10H13F3N2O6
Molecular Weight314.22 g/mol
Exact Mass314.07
IUPAC Name(5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NC[C@@H](C(=O)NOC2CCC2)O1
InChIInChI=1S/C8H12N2O4.C2HF3O2/c11-7(6-4-9-8(12)13-6)10-14-5-2-1-3-5;3-2(4,5)1(6)7/h5-6H,1-4H2,(H,9,12)(H,10,11);(H,6,7)/t6-;/m0./s1
InChIKeyYCWUIIAFFGVPAT-RGMNGODLSA-N
XLogP0.33
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid (CID 166244617) is (5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1NC[C@@H](C(=O)NOC2CCC2)O1.
What is the InChIKey of (5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YCWUIIAFFGVPAT-RGMNGODLSA-N. The full InChI is InChI=1S/C8H12N2O4.C2HF3O2/c11-7(6-4-9-8(12)13-6)10-14-5-2-1-3-5;3-2(4,5)1(6)7/h5-6H,1-4H2,(H,9,12)(H,10,11);(H,6,7)/t6-;/m0./s1.
What are the key properties of (5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid?
(5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 314.22 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166244617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).