(4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine

C18H21NOSe — CID 11221699

IUPAC(4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine
SMILESc1ccc(C[Se]CN2COC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C18H21NOSe/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-/m0/s1
InChIKeyRXUBULONOBCDTD-SFHVURJKSA-N
MW346.33 g/mol
LogP2.75
Rot. Bonds6

About (4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine

(4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine (PubChem CID 11221699) has the molecular formula C18H21NOSe and a molecular weight of 346.33 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine
PubChem CID11221699
Molecular FormulaC18H21NOSe
Molecular Weight346.33 g/mol
Exact Mass347.08
IUPAC Name(4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine
SMILESc1ccc(C[Se]CN2COC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C18H21NOSe/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-/m0/s1
InChIKeyRXUBULONOBCDTD-SFHVURJKSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-N,N-dimethyl-2-(3-phenylpropoxy)cyclohexan-1-amine
CID 71769137
trans-(1S,2S)-N-methyl-N-(2-phenylethyl)-2-(3-phenylpropoxy)cyclohexan-1-amine
CID 71769267
(2S,3R)-2-benzyl-3-methoxy-1-(2-methoxyethyl)pyrrolidine
CID 97470132
(2S,3S)-2-benzyl-3-methoxy-1-(2-methoxyethyl)pyrrolidine
CID 97470454
(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one
CID 101483713
(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one
CID 139264969
(4S)-4-benzyl-3-[(Z)-2-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 177852177
Pczknhfpuwpqtf-rouuacijsa-
CID 15349930
(4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione
CID 10655945
(4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one
CID 11242880
(4S)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one
CID 44254464
(2R)-3-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol
CID 69177252

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine?
The IUPAC name of (4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine (CID 11221699) is (4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine?
The canonical SMILES for (4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine is c1ccc(C[Se]CN2COC[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine?
The InChIKey is RXUBULONOBCDTD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NOSe/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-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine?
(4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine has a molecular weight of 346.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(benzylselanylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 11221699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).