3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C19H19NO3S — CID 56595365

IUPAC3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@H](SCc1ccccc1)c1ccccc1)N1CCOC1=O
InChIInChI=1S/C19H19NO3S/c21-18(20-11-12-23-19(20)22)13-17(16-9-5-2-6-10-16)24-14-15-7-3-1-4-8-15/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyURVQEAPNLXRWRH-KRWDZBQOSA-N
MW341.43 g/mol
LogP4.03
Rot. Bonds6

About 3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 56595365) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID56595365
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@H](SCc1ccccc1)c1ccccc1)N1CCOC1=O
InChIInChI=1S/C19H19NO3S/c21-18(20-11-12-23-19(20)22)13-17(16-9-5-2-6-10-16)24-14-15-7-3-1-4-8-15/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyURVQEAPNLXRWRH-KRWDZBQOSA-N
XLogP4.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 56595365) is 3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is O=C(C[C@H](SCc1ccccc1)c1ccccc1)N1CCOC1=O.
What is the InChIKey of 3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is URVQEAPNLXRWRH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO3S/c21-18(20-11-12-23-19(20)22)13-17(16-9-5-2-6-10-16)24-14-15-7-3-1-4-8-15/h1-10,17H,11-14H2/t17-/m0/s1.
What are the key properties of 3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 341.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-benzylsulfanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56595365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).