3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide

C14H15N3O3 — CID 94814841

IUPAC3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide
SMILESC[C@H](CN1CCOC1=O)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H15N3O3/c1-10(9-17-5-6-20-14(17)19)16-13(18)12-4-2-3-11(7-12)8-15/h2-4,7,10H,5-6,9H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyMRKLMOWSNPRYOA-SNVBAGLBSA-N
MW273.29 g/mol
LogP1.13
Rot. Bonds4

About 3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide

3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide (PubChem CID 94814841) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide
PubChem CID94814841
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide
SMILESC[C@H](CN1CCOC1=O)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H15N3O3/c1-10(9-17-5-6-20-14(17)19)16-13(18)12-4-2-3-11(7-12)8-15/h2-4,7,10H,5-6,9H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyMRKLMOWSNPRYOA-SNVBAGLBSA-N
XLogP1.13
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
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N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide (CID 94814841) is 3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide is C[C@H](CN1CCOC1=O)NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide?
The InChIKey is MRKLMOWSNPRYOA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10(9-17-5-6-20-14(17)19)16-13(18)12-4-2-3-11(7-12)8-15/h2-4,7,10H,5-6,9H2,1H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide?
3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide has a molecular weight of 273.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 94814841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).