3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C20H23NO3Sn — CID 164687058

IUPAC3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[Sn](C)(c1ccccc1)C(CC(=O)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C12H12NO3.C6H5.2CH3.Sn/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10;1-2-4-6-5-3-1;;;/h1-6H,7-9H2;1-5H;2*1H3;
InChIKeyKXUJWBDURARUGM-UHFFFAOYSA-N
MW444.12 g/mol
LogP3.29
Rot. Bonds5

About 3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one

3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 164687058) has the molecular formula C20H23NO3Sn and a molecular weight of 444.12 g/mol. Its IUPAC name is 3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID164687058
Molecular FormulaC20H23NO3Sn
Molecular Weight444.12 g/mol
Exact Mass445.07
IUPAC Name3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[Sn](C)(c1ccccc1)C(CC(=O)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C12H12NO3.C6H5.2CH3.Sn/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10;1-2-4-6-5-3-1;;;/h1-6H,7-9H2;1-5H;2*1H3;
InChIKeyKXUJWBDURARUGM-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.12
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Morpholin-4-yl)-3-phenylpropan-1-one
CID 532825
Ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate
CID 892301
3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-(3-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141223
1-(Morpholin-4-yl)-4-phenylbutan-1-one
CID 288839
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
2-[2-(allyloxy)ethyl]-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2944998
3-[6-(3-Iodophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145965726

Frequently Asked Questions

What is the IUPAC name of 3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 164687058) is 3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one is C[Sn](C)(c1ccccc1)C(CC(=O)N1CCOC1=O)c1ccccc1.
What is the InChIKey of 3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is KXUJWBDURARUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO3.C6H5.2CH3.Sn/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10;1-2-4-6-5-3-1;;;/h1-6H,7-9H2;1-5H;2*1H3;.
What are the key properties of 3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 444.12 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164687058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).