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

C10H15F3N2O5 — CID 142439110

IUPACethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide
SMILESCC.O=C(NC1(OC(F)(F)F)CC1)C1C(=O)ONC1O
InChIInChI=1S/C8H9F3N2O5.C2H6/c9-8(10,11)18-7(1-2-7)12-4(14)3-5(15)13-17-6(3)16;1-2/h3,5,13,15H,1-2H2,(H,12,14);1-2H3
InChIKeyDDWBPRHBABMJID-UHFFFAOYSA-N
MW300.23 g/mol
LogP0.15
Rot. Bonds3

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

ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide (PubChem CID 142439110) has the molecular formula C10H15F3N2O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound Nameethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide
PubChem CID142439110
Molecular FormulaC10H15F3N2O5
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Nameethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide
SMILESCC.O=C(NC1(OC(F)(F)F)CC1)C1C(=O)ONC1O
InChIInChI=1S/C8H9F3N2O5.C2H6/c9-8(10,11)18-7(1-2-7)12-4(14)3-5(15)13-17-6(3)16;1-2/h3,5,13,15H,1-2H2,(H,12,14);1-2H3
InChIKeyDDWBPRHBABMJID-UHFFFAOYSA-N
XLogP0.15
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 50.15
H-Bond Donors ≤ 53
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 ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide?
The IUPAC name of ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide (CID 142439110) is ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide is CC.O=C(NC1(OC(F)(F)F)CC1)C1C(=O)ONC1O.
What is the InChIKey of ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide?
The InChIKey is DDWBPRHBABMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O5.C2H6/c9-8(10,11)18-7(1-2-7)12-4(14)3-5(15)13-17-6(3)16;1-2/h3,5,13,15H,1-2H2,(H,12,14);1-2H3.
What are the key properties of ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide?
ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide has a molecular weight of 300.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).