4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide

C19H19N3O4 — CID 48824605

IUPAC4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
SMILESCC(NC(=O)c1ccc(C(N)=O)cc1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C19H19N3O4/c1-12(21-18(24)14-7-5-13(6-8-14)17(20)23)15-3-2-4-16(11-15)22-9-10-26-19(22)25/h2-8,11-12H,9-10H2,1H3,(H2,20,23)(H,21,24)
InChIKeyNFEMTGJBRWFBAP-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.23
Rot. Bonds5

About 4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide

4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide (PubChem CID 48824605) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
PubChem CID48824605
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
SMILESCC(NC(=O)c1ccc(C(N)=O)cc1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C19H19N3O4/c1-12(21-18(24)14-7-5-13(6-8-14)17(20)23)15-3-2-4-16(11-15)22-9-10-26-19(22)25/h2-8,11-12H,9-10H2,1H3,(H2,20,23)(H,21,24)
InChIKeyNFEMTGJBRWFBAP-UHFFFAOYSA-N
XLogP2.23
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide (CID 48824605) is 4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide is CC(NC(=O)c1ccc(C(N)=O)cc1)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of 4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide?
The InChIKey is NFEMTGJBRWFBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(21-18(24)14-7-5-13(6-8-14)17(20)23)15-3-2-4-16(11-15)22-9-10-26-19(22)25/h2-8,11-12H,9-10H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide?
4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 48824605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).