N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide

C10H9FN2O4 — CID 142439082

IUPACN-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1C(=O)ONC1O
InChIInChI=1S/C10H9FN2O4/c11-5-1-3-6(4-2-5)12-8(14)7-9(15)13-17-10(7)16/h1-4,7,9,13,15H,(H,12,14)
InChIKeyZQPVYYBTHWYYJZ-UHFFFAOYSA-N
MW240.19 g/mol
LogP-0.24
Rot. Bonds2

About N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide

N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439082) has the molecular formula C10H9FN2O4 and a molecular weight of 240.19 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439082
Molecular FormulaC10H9FN2O4
Molecular Weight240.19 g/mol
Exact Mass240.05
IUPAC NameN-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1C(=O)ONC1O
InChIInChI=1S/C10H9FN2O4/c11-5-1-3-6(4-2-5)12-8(14)7-9(15)13-17-10(7)16/h1-4,7,9,13,15H,(H,12,14)
InChIKeyZQPVYYBTHWYYJZ-UHFFFAOYSA-N
XLogP-0.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-5-oxo-N-phenyl-1,2-oxazolidine-4-carboxamide
CID 142439146
(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177965
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
2,2-difluoro-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 144539030
(4S)-N-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 175520739
N-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110649976
N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 53010175
N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47014952
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-(4-fluorophenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689144
N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol
CID 142439196
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439082) is N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide is O=C(Nc1ccc(F)cc1)C1C(=O)ONC1O.
What is the InChIKey of N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is ZQPVYYBTHWYYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O4/c11-5-1-3-6(4-2-5)12-8(14)7-9(15)13-17-10(7)16/h1-4,7,9,13,15H,(H,12,14).
What are the key properties of N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 240.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).