3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one

C10H10FN3O3 — CID 142879110

IUPAC3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one
SMILESNc1ccc(N2CC(CN=O)OC2=O)cc1F
InChIInChI=1S/C10H10FN3O3/c11-8-3-6(1-2-9(8)12)14-5-7(4-13-16)17-10(14)15/h1-3,7H,4-5,12H2
InChIKeyHTOPPDIMZFYKHH-UHFFFAOYSA-N
MW239.21 g/mol
LogP1.50
Rot. Bonds3

About 3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one

3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one (PubChem CID 142879110) has the molecular formula C10H10FN3O3 and a molecular weight of 239.21 g/mol. Its IUPAC name is 3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one
PubChem CID142879110
Molecular FormulaC10H10FN3O3
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Name3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one
SMILESNc1ccc(N2CC(CN=O)OC2=O)cc1F
InChIInChI=1S/C10H10FN3O3/c11-8-3-6(1-2-9(8)12)14-5-7(4-13-16)17-10(14)15/h1-3,7H,4-5,12H2
InChIKeyHTOPPDIMZFYKHH-UHFFFAOYSA-N
XLogP1.50
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
N-[[3-(4-amino-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 90654078
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzonitrile
CID 67538154
5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 70917959
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(furan-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 129070942
5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one (CID 142879110) is 3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one is Nc1ccc(N2CC(CN=O)OC2=O)cc1F.
What is the InChIKey of 3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one?
The InChIKey is HTOPPDIMZFYKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3/c11-8-3-6(1-2-9(8)12)14-5-7(4-13-16)17-10(14)15/h1-3,7H,4-5,12H2.
What are the key properties of 3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one?
3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one has a molecular weight of 239.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142879110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).