2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine

C17H19NO3S — CID 110740382

IUPAC2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine
SMILESO=S(=O)(CCc1ccccc1)N1CCOC1c1ccccc1
InChIInChI=1S/C17H19NO3S/c19-22(20,14-11-15-7-3-1-4-8-15)18-12-13-21-17(18)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyHNDBFVJTOPJCBF-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.59
Rot. Bonds5

About 2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine

2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine (PubChem CID 110740382) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine
PubChem CID110740382
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine
SMILESO=S(=O)(CCc1ccccc1)N1CCOC1c1ccccc1
InChIInChI=1S/C17H19NO3S/c19-22(20,14-11-15-7-3-1-4-8-15)18-12-13-21-17(18)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyHNDBFVJTOPJCBF-UHFFFAOYSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenylethylsulfonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
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(4aR,8aS)-4-(2-phenylethylsulfonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 100890896
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
2-(bromomethyl)-4-(2-phenylethylsulfonyl)morpholine
CID 81211671
3-methyl-2-phenyl-4-propylsulfonylmorpholine
CID 110728469
2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
CID 121134610
4-(3-phenylpropylsulfonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 110290144
3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
CID 110419968
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine
CID 110740386
2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine
CID 47958840
methyl 1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 43624427

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine?
The IUPAC name of 2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine (CID 110740382) is 2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine.
What is the SMILES notation for 2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine?
The canonical SMILES for 2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine is O=S(=O)(CCc1ccccc1)N1CCOC1c1ccccc1.
What is the InChIKey of 2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine?
The InChIKey is HNDBFVJTOPJCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c19-22(20,14-11-15-7-3-1-4-8-15)18-12-13-21-17(18)16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of 2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine?
2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine has a molecular weight of 317.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine is sourced from PubChem (CID 110740382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).