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

C16H18N2O4 — CID 25310202

IUPAC3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCN3CCOC3=O)c(C)c2c1
InChIInChI=1S/C16H18N2O4/c1-10-3-4-13-12(9-10)11(2)14(22-13)15(19)17-5-6-18-7-8-21-16(18)20/h3-4,9H,5-8H2,1-2H3,(H,17,19)
InChIKeyQXVFJLOIVHQJKH-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.23
Rot. Bonds4

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

3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 25310202) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID25310202
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCN3CCOC3=O)c(C)c2c1
InChIInChI=1S/C16H18N2O4/c1-10-3-4-13-12(9-10)11(2)14(22-13)15(19)17-5-6-18-7-8-21-16(18)20/h3-4,9H,5-8H2,1-2H3,(H,17,19)
InChIKeyQXVFJLOIVHQJKH-UHFFFAOYSA-N
XLogP2.23
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 110707245
3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42107595
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 975628
2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]chromene-3-carboxamide
CID 110741030
2,3-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]quinoxaline-6-carboxamide
CID 72852469
3,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 35577669
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
CID 28737366
3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052708
3-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707208
3,5-dimethyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35579101
N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 35577223

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide (CID 25310202) is 3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCCN3CCOC3=O)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is QXVFJLOIVHQJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-3-4-13-12(9-10)11(2)14(22-13)15(19)17-5-6-18-7-8-21-16(18)20/h3-4,9H,5-8H2,1-2H3,(H,17,19).
What are the key properties of 3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25310202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).