3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one

C10H11FN2O2 — CID 107347624

IUPAC3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1cccc(CN2CCOC2=O)c1F
InChIInChI=1S/C10H11FN2O2/c11-9-7(2-1-3-8(9)12)6-13-4-5-15-10(13)14/h1-3H,4-6,12H2
InChIKeyCNHZSRGUCLYSAN-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.36
Rot. Bonds2

About 3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one

3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 107347624) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID107347624
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1cccc(CN2CCOC2=O)c1F
InChIInChI=1S/C10H11FN2O2/c11-9-7(2-1-3-8(9)12)6-13-4-5-15-10(13)14/h1-3H,4-6,12H2
InChIKeyCNHZSRGUCLYSAN-UHFFFAOYSA-N
XLogP1.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid
CID 81318059
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluoroaniline
CID 107347257
2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride
CID 22151120
1-[(3-amino-2-fluorophenyl)methyl]-5-propan-2-ylazepan-2-one
CID 107347703
3-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 72891391
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one
CID 107113912
3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium
CID 164530225
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604
3-[(6-hydrazinyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one
CID 79232591
3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 62465616
1-[(3-amino-2-fluorophenyl)methyl]-3-cyclopropylimidazol-2-one
CID 107347737
1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one
CID 107347649

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one (CID 107347624) is 3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one is Nc1cccc(CN2CCOC2=O)c1F.
What is the InChIKey of 3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is CNHZSRGUCLYSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-9-7(2-1-3-8(9)12)6-13-4-5-15-10(13)14/h1-3H,4-6,12H2.
What are the key properties of 3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 210.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 107347624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).