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

C18H19FN2O2 — CID 3069251

IUPAC5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(CCc3cccc(F)c3)cc2)C(=O)O1
InChIInChI=1S/C18H19FN2O2/c19-15-3-1-2-14(10-15)5-4-13-6-8-16(9-7-13)21-12-17(11-20)23-18(21)22/h1-3,6-10,17H,4-5,11-12,20H2
InChIKeyKVZHNOGFUCSHMN-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.89
Rot. Bonds5

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

5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 3069251) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID3069251
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(CCc3cccc(F)c3)cc2)C(=O)O1
InChIInChI=1S/C18H19FN2O2/c19-15-3-1-2-14(10-15)5-4-13-6-8-16(9-7-13)21-12-17(11-20)23-18(21)22/h1-3,6-10,17H,4-5,11-12,20H2
InChIKeyKVZHNOGFUCSHMN-UHFFFAOYSA-N
XLogP2.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.89
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-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one (CID 3069251) is 5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one is NCC1CN(c2ccc(CCc3cccc(F)c3)cc2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KVZHNOGFUCSHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-15-3-1-2-14(10-15)5-4-13-6-8-16(9-7-13)21-12-17(11-20)23-18(21)22/h1-3,6-10,17H,4-5,11-12,20H2.
What are the key properties of 5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 314.36 g/mol, XLogP of 2.89, 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-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3069251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).