N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C13H13N3O3 — CID 14011292

IUPACN-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C#N)cc2)C(=O)O1
InChIInChI=1S/C13H13N3O3/c1-9(17)15-7-12-8-16(13(18)19-12)11-4-2-10(6-14)3-5-11/h2-5,12H,7-8H2,1H3,(H,15,17)
InChIKeyOIAZVLZXAHABJK-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.02
Rot. Bonds3

About N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14011292) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14011292
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C#N)cc2)C(=O)O1
InChIInChI=1S/C13H13N3O3/c1-9(17)15-7-12-8-16(13(18)19-12)11-4-2-10(6-14)3-5-11/h2-5,12H,7-8H2,1H3,(H,15,17)
InChIKeyOIAZVLZXAHABJK-UHFFFAOYSA-N
XLogP1.02
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14011292) is N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(C#N)cc2)C(=O)O1.
What is the InChIKey of N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OIAZVLZXAHABJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9(17)15-7-12-8-16(13(18)19-12)11-4-2-10(6-14)3-5-11/h2-5,12H,7-8H2,1H3,(H,15,17).
What are the key properties of N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 259.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14011292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).