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

C19H20ClF3N2O2 — CID 3069255

IUPAC5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.NCC1CN(c2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C(=O)O1
InChIInChI=1S/C19H19F3N2O2.ClH/c20-19(21,22)15-3-1-2-14(10-15)5-4-13-6-8-16(9-7-13)24-12-17(11-23)26-18(24)25;/h1-3,6-10,17H,4-5,11-12,23H2;1H
InChIKeyWNHLEDQUHXPPPM-UHFFFAOYSA-N
MW400.83 g/mol
LogP4.20
Rot. Bonds5

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

5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 3069255) has the molecular formula C19H20ClF3N2O2 and a molecular weight of 400.83 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID3069255
Molecular FormulaC19H20ClF3N2O2
Molecular Weight400.83 g/mol
Exact Mass400.12
IUPAC Name5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.NCC1CN(c2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C(=O)O1
InChIInChI=1S/C19H19F3N2O2.ClH/c20-19(21,22)15-3-1-2-14(10-15)5-4-13-6-8-16(9-7-13)24-12-17(11-23)26-18(24)25;/h1-3,6-10,17H,4-5,11-12,23H2;1H
InChIKeyWNHLEDQUHXPPPM-UHFFFAOYSA-N
XLogP4.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 54.20
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-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (CID 3069255) is 5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride is Cl.NCC1CN(c2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is WNHLEDQUHXPPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2.ClH/c20-19(21,22)15-3-1-2-14(10-15)5-4-13-6-8-16(9-7-13)24-12-17(11-23)26-18(24)25;/h1-3,6-10,17H,4-5,11-12,23H2;1H.
What are the key properties of 5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 400.83 g/mol, XLogP of 4.20, 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-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 3069255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).