5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one

C17H16Cl2N2O3 — CID 171344080

IUPAC5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
SMILESNCc1cccc(OCC2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1
InChIInChI=1S/C17H16Cl2N2O3/c18-15-5-4-12(7-16(15)19)21-9-14(24-17(21)22)10-23-13-3-1-2-11(6-13)8-20/h1-7,14H,8-10,20H2
InChIKeyACUPTIKXHPPJSH-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.86
Rot. Bonds5

About 5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one

5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one (PubChem CID 171344080) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
PubChem CID171344080
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
SMILESNCc1cccc(OCC2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1
InChIInChI=1S/C17H16Cl2N2O3/c18-15-5-4-12(7-16(15)19)21-9-14(24-17(21)22)10-23-13-3-1-2-11(6-13)8-20/h1-7,14H,8-10,20H2
InChIKeyACUPTIKXHPPJSH-UHFFFAOYSA-N
XLogP3.86
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one (CID 171344080) is 5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one is NCc1cccc(OCC2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1.
What is the InChIKey of 5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is ACUPTIKXHPPJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-15-5-4-12(7-16(15)19)21-9-14(24-17(21)22)10-23-13-3-1-2-11(6-13)8-20/h1-7,14H,8-10,20H2.
What are the key properties of 5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 367.23 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 171344080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).