3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one

C20H19NO3S — CID 134949776

IUPAC3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C(c1ccccc1Sc1ccccc1)C1CC1
InChIInChI=1S/C20H19NO3S/c22-19(21-12-13-24-20(21)23)18(14-10-11-14)16-8-4-5-9-17(16)25-15-6-2-1-3-7-15/h1-9,14,18H,10-13H2
InChIKeyGLCXBFSGTAPBSS-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.31
Rot. Bonds5

About 3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one

3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 134949776) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID134949776
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C(c1ccccc1Sc1ccccc1)C1CC1
InChIInChI=1S/C20H19NO3S/c22-19(21-12-13-24-20(21)23)18(14-10-11-14)16-8-4-5-9-17(16)25-15-6-2-1-3-7-15/h1-9,14,18H,10-13H2
InChIKeyGLCXBFSGTAPBSS-UHFFFAOYSA-N
XLogP4.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one (CID 134949776) is 3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)C(c1ccccc1Sc1ccccc1)C1CC1.
What is the InChIKey of 3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is GLCXBFSGTAPBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c22-19(21-12-13-24-20(21)23)18(14-10-11-14)16-8-4-5-9-17(16)25-15-6-2-1-3-7-15/h1-9,14,18H,10-13H2.
What are the key properties of 3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one?
3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 353.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134949776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).