(4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C20H23NO4S — CID 134881815

IUPAC(4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC(N1C(=O)OC(C)(C)[C@H]1c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23NO4S/c1-4-17(26(23,24)16-13-9-6-10-14-16)21-18(15-11-7-5-8-12-15)20(2,3)25-19(21)22/h5-14,17-18H,4H2,1-3H3/t17?,18-/m1/s1
InChIKeyAQSDQCLHTXOTOX-QRWMCTBCSA-N
MW373.47 g/mol
LogP4.17
Rot. Bonds5

About (4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134881815) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is (4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134881815
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name(4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC(N1C(=O)OC(C)(C)[C@H]1c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23NO4S/c1-4-17(26(23,24)16-13-9-6-10-14-16)21-18(15-11-7-5-8-12-15)20(2,3)25-19(21)22/h5-14,17-18H,4H2,1-3H3/t17?,18-/m1/s1
InChIKeyAQSDQCLHTXOTOX-QRWMCTBCSA-N
XLogP4.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 134881815) is (4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CCC(N1C(=O)OC(C)(C)[C@H]1c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is AQSDQCLHTXOTOX-QRWMCTBCSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-4-17(26(23,24)16-13-9-6-10-14-16)21-18(15-11-7-5-8-12-15)20(2,3)25-19(21)22/h5-14,17-18H,4H2,1-3H3/t17?,18-/m1/s1.
What are the key properties of (4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 373.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[1-(benzenesulfonyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134881815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).