5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride

C10H12ClFN2O2 — CID 71779050

IUPAC5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.NCC1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C10H11FN2O2.ClH/c11-7-1-3-8(4-2-7)13-6-9(5-12)15-10(13)14;/h1-4,9H,5-6,12H2;1H
InChIKeyUPDVYQLNJKCOMT-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.53
Rot. Bonds2

About 5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride

5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 71779050) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID71779050
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.NCC1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C10H11FN2O2.ClH/c11-7-1-3-8(4-2-7)13-6-9(5-12)15-10(13)14;/h1-4,9H,5-6,12H2;1H
InChIKeyUPDVYQLNJKCOMT-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
CID 129499040
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzonitrile
CID 67538154

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 71779050) is 5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride is Cl.NCC1CN(c2ccc(F)cc2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is UPDVYQLNJKCOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2.ClH/c11-7-1-3-8(4-2-7)13-6-9(5-12)15-10(13)14;/h1-4,9H,5-6,12H2;1H.
What are the key properties of 5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 246.67 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 71779050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).