(4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine

C17H19NOS — CID 101210023

IUPAC(4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine
SMILESc1ccc(C[C@@H]2COCN2CSc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-3-7-15(8-4-1)11-16-12-19-13-18(16)14-20-17-9-5-2-6-10-17/h1-10,16H,11-14H2/t16-/m1/s1
InChIKeyJUTKAMMVKLFQFE-MRXNPFEDSA-N
MW285.41 g/mol
LogP3.64
Rot. Bonds5

About (4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine

(4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine (PubChem CID 101210023) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine
PubChem CID101210023
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine
SMILESc1ccc(C[C@@H]2COCN2CSc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-3-7-15(8-4-1)11-16-12-19-13-18(16)14-20-17-9-5-2-6-10-17/h1-10,16H,11-14H2/t16-/m1/s1
InChIKeyJUTKAMMVKLFQFE-MRXNPFEDSA-N
XLogP3.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine
CID 11221699
(4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one
CID 135017046
(4S)-4-benzyl-3-[(E)-3-phenylsulfanylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 10449860
Phenylmethyl 1-oxa-4-azaspiro[4.5]decane-4-carbodithioate
CID 15166728
(+)-4-Benzyl-3-(4-phenylsulfanylbutanoyl)oxazolidin-2-one
CID 18790149
(S)-2,2-dimethyl-4-(4-phenylsulfanyl-benzyl)oxazolidine-3-carboxylic acid tert-butyl ester
CID 54308626
Tert-butyl 2,2-dimethyl-4-[(4-phenylsulfanylphenyl)methyl]-1,3-oxazolidine-3-carboxylate
CID 69798210
(4S)-4-benzyl-3-(3-phenylsulfanylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 71094070
(2R)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol
CID 141041795
(2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol
CID 141041802
(4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one
CID 141214506
2,3-Dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine
CID 174582169

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine?
The IUPAC name of (4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine (CID 101210023) is (4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine.
What is the SMILES notation for (4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine?
The canonical SMILES for (4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine is c1ccc(C[C@@H]2COCN2CSc2ccccc2)cc1.
What is the InChIKey of (4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine?
The InChIKey is JUTKAMMVKLFQFE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-7-15(8-4-1)11-16-12-19-13-18(16)14-20-17-9-5-2-6-10-17/h1-10,16H,11-14H2/t16-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine?
(4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine has a molecular weight of 285.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 101210023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).