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

C18H21NOS — CID 101210021

IUPAC(4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine
SMILESc1ccc(CSCN2COC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C18H21NOS/c1-3-7-16(8-4-1)11-18-12-20-14-19(18)15-21-13-17-9-5-2-6-10-17/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyNQXWLSIBVRXLKV-GOSISDBHSA-N
MW299.44 g/mol
LogP3.78
Rot. Bonds6

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

(4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine (PubChem CID 101210021) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is (4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine
PubChem CID101210021
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name(4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine
SMILESc1ccc(CSCN2COC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C18H21NOS/c1-3-7-16(8-4-1)11-18-12-20-14-19(18)15-21-13-17-9-5-2-6-10-17/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyNQXWLSIBVRXLKV-GOSISDBHSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine?
The IUPAC name of (4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine (CID 101210021) is (4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine.
What is the SMILES notation for (4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine?
The canonical SMILES for (4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine is c1ccc(CSCN2COC[C@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine?
The InChIKey is NQXWLSIBVRXLKV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-7-16(8-4-1)11-18-12-20-14-19(18)15-21-13-17-9-5-2-6-10-17/h1-10,18H,11-15H2/t18-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine?
(4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine has a molecular weight of 299.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-(benzylsulfanylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 101210021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).