(4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole

C17H17NOSe — CID 11681470

IUPAC(4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc([Se]CC[C@H]2COC(c3ccccc3)=N2)cc1
InChIInChI=1S/C17H17NOSe/c1-3-7-14(8-4-1)17-18-15(13-19-17)11-12-20-16-9-5-2-6-10-16/h1-10,15H,11-13H2/t15-/m0/s1
InChIKeyFYXPHVLJGQONKJ-HNNXBMFYSA-N
MW330.29 g/mol
LogP2.67
Rot. Bonds5

About (4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole

(4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 11681470) has the molecular formula C17H17NOSe and a molecular weight of 330.29 g/mol. Its IUPAC name is (4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole
PubChem CID11681470
Molecular FormulaC17H17NOSe
Molecular Weight330.29 g/mol
Exact Mass331.05
IUPAC Name(4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc([Se]CC[C@H]2COC(c3ccccc3)=N2)cc1
InChIInChI=1S/C17H17NOSe/c1-3-7-14(8-4-1)17-18-15(13-19-17)11-12-20-16-9-5-2-6-10-16/h1-10,15H,11-13H2/t15-/m0/s1
InChIKeyFYXPHVLJGQONKJ-HNNXBMFYSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole (CID 11681470) is (4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole is c1ccc([Se]CC[C@H]2COC(c3ccccc3)=N2)cc1.
What is the InChIKey of (4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is FYXPHVLJGQONKJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NOSe/c1-3-7-14(8-4-1)17-18-15(13-19-17)11-12-20-16-9-5-2-6-10-16/h1-10,15H,11-13H2/t15-/m0/s1.
What are the key properties of (4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole?
(4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 330.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11681470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).