3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one

C10H11FN2O2 — CID 105463801

IUPAC3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1cc(CN2CCOC2=O)ccc1F
InChIInChI=1S/C10H11FN2O2/c11-8-2-1-7(5-9(8)12)6-13-3-4-15-10(13)14/h1-2,5H,3-4,6,12H2
InChIKeyYZRKKRARQHPTDQ-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.36
Rot. Bonds2

About 3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one

3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 105463801) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID105463801
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1cc(CN2CCOC2=O)ccc1F
InChIInChI=1S/C10H11FN2O2/c11-8-2-1-7(5-9(8)12)6-13-3-4-15-10(13)14/h1-2,5H,3-4,6,12H2
InChIKeyYZRKKRARQHPTDQ-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

5-((((Methylamino)carbonyl)oxy)methyl)-3-(3-(trifluoromethyl)phenyl)-2-oxazolidinone
CID 198478
2-Oxazolidinone, 5-hydroxymethyl-3-(m-trifluoromethylphenyl)-, carbamate
CID 207131
2-Oxazolidinone, 5-(aminomethyl)-3-(4-(2-(3-fluorophenyl)ethyl)phenyl)-
CID 3069251
3-(2-Oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 1811415
Methyl 4-((3-amino-2-fluorophenyl)methyl)piperazine-1-carboxylate
CID 57597112
3-(3-(Aminomethyl)phenyl)-1,3-oxazolidin-2-one
CID 28740412
3-Oxazolidinesulfonamide, N-(4-methylphenyl)-2-oxo-
CID 9795067
3-[4-(Trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 11837255
Ethanol, 2,2'-(m-tolylimino)di-, dicarbamate (ester)
CID 29549
1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate
CID 36508
2-Oxazolidinone, 5-hydroxymethyl-3-(m-tolyl)-, carbamate
CID 207146
Carbamic acid, (1-methylethyl)-, (3-(3-(trifluoromethyl)phenyl)-2-oxooxazolidin-5-yl)methyl ester
CID 3049198

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one (CID 105463801) is 3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one is Nc1cc(CN2CCOC2=O)ccc1F.
What is the InChIKey of 3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is YZRKKRARQHPTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-8-2-1-7(5-9(8)12)6-13-3-4-15-10(13)14/h1-2,5H,3-4,6,12H2.
What are the key properties of 3-[(3-amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
3-[(3-amino-4-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-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 105463801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).