5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride

C18H19Cl2FN2O2 — CID 3069253

IUPAC5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.NCC1CN(c2ccc(CCc3ccc(F)c(Cl)c3)cc2)C(=O)O1
InChIInChI=1S/C18H18ClFN2O2.ClH/c19-16-9-13(5-8-17(16)20)2-1-12-3-6-14(7-4-12)22-11-15(10-21)24-18(22)23;/h3-9,15H,1-2,10-11,21H2;1H
InChIKeyBUQGVEACIRATKI-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.97
Rot. Bonds5

About 5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride

5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 3069253) has the molecular formula C18H19Cl2FN2O2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID3069253
Molecular FormulaC18H19Cl2FN2O2
Molecular Weight385.27 g/mol
Exact Mass384.08
IUPAC Name5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.NCC1CN(c2ccc(CCc3ccc(F)c(Cl)c3)cc2)C(=O)O1
InChIInChI=1S/C18H18ClFN2O2.ClH/c19-16-9-13(5-8-17(16)20)2-1-12-3-6-14(7-4-12)22-11-15(10-21)24-18(22)23;/h3-9,15H,1-2,10-11,21H2;1H
InChIKeyBUQGVEACIRATKI-UHFFFAOYSA-N
XLogP3.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (CID 3069253) is 5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride is Cl.NCC1CN(c2ccc(CCc3ccc(F)c(Cl)c3)cc2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is BUQGVEACIRATKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2.ClH/c19-16-9-13(5-8-17(16)20)2-1-12-3-6-14(7-4-12)22-11-15(10-21)24-18(22)23;/h3-9,15H,1-2,10-11,21H2;1H.
What are the key properties of 5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 385.27 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 3069253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).