(3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine

C23H23NOSe — CID 134984307

IUPAC(3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine
SMILESCC(c1ccccc1)N1OC[C@@H]([Se]c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H23NOSe/c1-18(19-11-5-2-6-12-19)24-23(20-13-7-3-8-14-20)22(17-25-24)26-21-15-9-4-10-16-21/h2-16,18,22-23H,17H2,1H3/t18?,22-,23+/m1/s1
InChIKeyJMNWJBBIJROMQV-ZPUYXXQXSA-N
MW408.40 g/mol
LogP4.55
Rot. Bonds5

About (3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine

(3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine (PubChem CID 134984307) has the molecular formula C23H23NOSe and a molecular weight of 408.40 g/mol. Its IUPAC name is (3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine
PubChem CID134984307
Molecular FormulaC23H23NOSe
Molecular Weight408.40 g/mol
Exact Mass409.09
IUPAC Name(3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine
SMILESCC(c1ccccc1)N1OC[C@@H]([Se]c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H23NOSe/c1-18(19-11-5-2-6-12-19)24-23(20-13-7-3-8-14-20)22(17-25-24)26-21-15-9-4-10-16-21/h2-16,18,22-23H,17H2,1H3/t18?,22-,23+/m1/s1
InChIKeyJMNWJBBIJROMQV-ZPUYXXQXSA-N
XLogP4.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.55
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

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CID 704394
2-Methyl-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 4367643
2,6-Diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 2729795
(3R,5S)-2-tert-Butyl-5-iodomethyl-3-phenyl-isoxazolidine
CID 21582106
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758
(3S,4S)-3-phenyl-4-phenylselanyl-2-propan-2-yl-1,2-oxazolidine
CID 15758443
(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 15758445
(3S,5S)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914315
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914316
3-(2-Fluorophenyl)-2-methyl-1,2-oxazolidine
CID 129018500

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine?
The IUPAC name of (3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine (CID 134984307) is (3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine.
What is the SMILES notation for (3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine?
The canonical SMILES for (3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine is CC(c1ccccc1)N1OC[C@@H]([Se]c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine?
The InChIKey is JMNWJBBIJROMQV-ZPUYXXQXSA-N. The full InChI is InChI=1S/C23H23NOSe/c1-18(19-11-5-2-6-12-19)24-23(20-13-7-3-8-14-20)22(17-25-24)26-21-15-9-4-10-16-21/h2-16,18,22-23H,17H2,1H3/t18?,22-,23+/m1/s1.
What are the key properties of (3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine?
(3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine has a molecular weight of 408.40 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine is sourced from PubChem (CID 134984307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).