N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C20H20N2O4 — CID 49163661

IUPACN-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)COC2)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C20H20N2O4/c1-13(14-3-2-4-18(10-14)22-7-8-26-20(22)24)21-19(23)15-5-6-16-11-25-12-17(16)9-15/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,21,23)
InChIKeyCTWBJSGVLBAUPG-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.16
Rot. Bonds4

About N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 49163661) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID49163661
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)COC2)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C20H20N2O4/c1-13(14-3-2-4-18(10-14)22-7-8-26-20(22)24)21-19(23)15-5-6-16-11-25-12-17(16)9-15/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,21,23)
InChIKeyCTWBJSGVLBAUPG-UHFFFAOYSA-N
XLogP3.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 49163661) is N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide is CC(NC(=O)c1ccc2c(c1)COC2)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is CTWBJSGVLBAUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(14-3-2-4-18(10-14)22-7-8-26-20(22)24)21-19(23)15-5-6-16-11-25-12-17(16)9-15/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,21,23).
What are the key properties of N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 49163661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).