but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide

C20H32N2O3 — CID 90796180

IUPACbut-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC.CC.CC#CC.CC(=O)NC[C@H]1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C12H14N2O3.C4H6.2C2H6/c1-9(15)13-7-11-8-14(12(16)17-11)10-5-3-2-4-6-10;1-3-4-2;2*1-2/h2-6,11H,7-8H2,1H3,(H,13,15);1-2H3;2*1-2H3/t11-;;;/m0.../s1
InChIKeyCWFXGUJOQZQGJH-XVSRHIFFSA-N
MW348.49 g/mol
LogP4.23
Rot. Bonds3

About but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide

but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 90796180) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Namebut-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID90796180
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Namebut-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC.CC.CC#CC.CC(=O)NC[C@H]1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C12H14N2O3.C4H6.2C2H6/c1-9(15)13-7-11-8-14(12(16)17-11)10-5-3-2-4-6-10;1-3-4-2;2*1-2/h2-6,11H,7-8H2,1H3,(H,13,15);1-2H3;2*1-2H3/t11-;;;/m0.../s1
InChIKeyCWFXGUJOQZQGJH-XVSRHIFFSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[2-oxo-3-[4-(3-oxoprop-1-enyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54536616
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-benzoxazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10270301
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
N-[[(5S)-3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 638803
2-ethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920412

Frequently Asked Questions

What is the IUPAC name of but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide (CID 90796180) is but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide is CC.CC.CC#CC.CC(=O)NC[C@H]1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is CWFXGUJOQZQGJH-XVSRHIFFSA-N. The full InChI is InChI=1S/C12H14N2O3.C4H6.2C2H6/c1-9(15)13-7-11-8-14(12(16)17-11)10-5-3-2-4-6-10;1-3-4-2;2*1-2/h2-6,11H,7-8H2,1H3,(H,13,15);1-2H3;2*1-2H3/t11-;;;/m0.../s1.
What are the key properties of but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide?
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 90796180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).