2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid

C17H18N2O5S — CID 57056399

IUPAC2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid
SMILESNCc1ccc(N2CC(COc3cscc3CC(=O)O)OC2=O)cc1
InChIInChI=1S/C17H18N2O5S/c18-6-11-1-3-13(4-2-11)19-7-14(24-17(19)22)8-23-15-10-25-9-12(15)5-16(20)21/h1-4,9-10,14H,5-8,18H2,(H,20,21)
InChIKeyGHNUTACTZXIHFU-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.24
Rot. Bonds7

About 2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid

2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid (PubChem CID 57056399) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid
PubChem CID57056399
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid
SMILESNCc1ccc(N2CC(COc3cscc3CC(=O)O)OC2=O)cc1
InChIInChI=1S/C17H18N2O5S/c18-6-11-1-3-13(4-2-11)19-7-14(24-17(19)22)8-23-15-10-25-9-12(15)5-16(20)21/h1-4,9-10,14H,5-8,18H2,(H,20,21)
InChIKeyGHNUTACTZXIHFU-UHFFFAOYSA-N
XLogP2.24
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid?
The IUPAC name of 2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid (CID 57056399) is 2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid is NCc1ccc(N2CC(COc3cscc3CC(=O)O)OC2=O)cc1.
What is the InChIKey of 2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid?
The InChIKey is GHNUTACTZXIHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c18-6-11-1-3-13(4-2-11)19-7-14(24-17(19)22)8-23-15-10-25-9-12(15)5-16(20)21/h1-4,9-10,14H,5-8,18H2,(H,20,21).
What are the key properties of 2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid?
2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid has a molecular weight of 362.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid is sourced from PubChem (CID 57056399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).