5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole

C19H19NOSe — CID 102450262

IUPAC5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole
SMILESCC(C)(C)c1onc(-c2ccccc2)c1[Se]c1ccccc1
InChIInChI=1S/C19H19NOSe/c1-19(2,3)18-17(22-15-12-8-5-9-13-15)16(20-21-18)14-10-6-4-7-11-14/h4-13H,1-3H3
InChIKeyAMSJFQPVIUOGNX-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.29
Rot. Bonds3

About 5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole

5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole (PubChem CID 102450262) has the molecular formula C19H19NOSe and a molecular weight of 356.33 g/mol. Its IUPAC name is 5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole
PubChem CID102450262
Molecular FormulaC19H19NOSe
Molecular Weight356.33 g/mol
Exact Mass357.06
IUPAC Name5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole
SMILESCC(C)(C)c1onc(-c2ccccc2)c1[Se]c1ccccc1
InChIInChI=1S/C19H19NOSe/c1-19(2,3)18-17(22-15-12-8-5-9-13-15)16(20-21-18)14-10-6-4-7-11-14/h4-13H,1-3H3
InChIKeyAMSJFQPVIUOGNX-UHFFFAOYSA-N
XLogP3.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.29
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

5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole
CID 71567074
5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole
CID 57372994
4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole
CID 10263127
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 113457320
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine
CID 83850381
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
methanamine;methane;3-phenyl-1,2-benzoxazole
CID 175235324
3,5-diphenyl-1,2-oxazol-4-amine
CID 15554723
1-[3-phenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,2-oxazol-4-yl]ethanol
CID 11016646
3-tert-butyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 23379881

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole (CID 102450262) is 5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole is CC(C)(C)c1onc(-c2ccccc2)c1[Se]c1ccccc1.
What is the InChIKey of 5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole?
The InChIKey is AMSJFQPVIUOGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOSe/c1-19(2,3)18-17(22-15-12-8-5-9-13-15)16(20-21-18)14-10-6-4-7-11-14/h4-13H,1-3H3.
What are the key properties of 5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole?
5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole has a molecular weight of 356.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole is sourced from PubChem (CID 102450262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).