3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide

C9H11F3N2O5 — CID 142439167

IUPAC3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2(OC(F)(F)F)CC2)C1O
InChIInChI=1S/C9H11F3N2O5/c1-14-6(16)4(7(17)18-14)5(15)13-8(2-3-8)19-9(10,11)12/h4,6,16H,2-3H2,1H3,(H,13,15)
InChIKeyBGQQEUVGBZJRFB-UHFFFAOYSA-N
MW284.19 g/mol
LogP-0.53
Rot. Bonds3

About 3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide

3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide (PubChem CID 142439167) has the molecular formula C9H11F3N2O5 and a molecular weight of 284.19 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide
PubChem CID142439167
Molecular FormulaC9H11F3N2O5
Molecular Weight284.19 g/mol
Exact Mass284.06
IUPAC Name3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2(OC(F)(F)F)CC2)C1O
InChIInChI=1S/C9H11F3N2O5/c1-14-6(16)4(7(17)18-14)5(15)13-8(2-3-8)19-9(10,11)12/h4,6,16H,2-3H2,1H3,(H,13,15)
InChIKeyBGQQEUVGBZJRFB-UHFFFAOYSA-N
XLogP-0.53
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide?
The IUPAC name of 3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide (CID 142439167) is 3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for 3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide is CN1OC(=O)C(C(=O)NC2(OC(F)(F)F)CC2)C1O.
What is the InChIKey of 3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide?
The InChIKey is BGQQEUVGBZJRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O5/c1-14-6(16)4(7(17)18-14)5(15)13-8(2-3-8)19-9(10,11)12/h4,6,16H,2-3H2,1H3,(H,13,15).
What are the key properties of 3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide?
3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide has a molecular weight of 284.19 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).