5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole

C22H17NOSe — CID 71567074

IUPAC5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole
SMILESCc1cccc(-c2onc(-c3ccccc3)c2[Se]c2ccccc2)c1
InChIInChI=1S/C22H17NOSe/c1-16-9-8-12-18(15-16)21-22(25-19-13-6-3-7-14-19)20(23-24-21)17-10-4-2-5-11-17/h2-15H,1H3
InChIKeyOTGASUGTHAUKJU-UHFFFAOYSA-N
MW390.34 g/mol
LogP3.97
Rot. Bonds4

About 5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole

5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole (PubChem CID 71567074) has the molecular formula C22H17NOSe and a molecular weight of 390.34 g/mol. Its IUPAC name is 5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole.

Molecular Properties

Compound Name5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole
PubChem CID71567074
Molecular FormulaC22H17NOSe
Molecular Weight390.34 g/mol
Exact Mass391.05
IUPAC Name5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole
SMILESCc1cccc(-c2onc(-c3ccccc3)c2[Se]c2ccccc2)c1
InChIInChI=1S/C22H17NOSe/c1-16-9-8-12-18(15-16)21-22(25-19-13-6-3-7-14-19)20(23-24-21)17-10-4-2-5-11-17/h2-15H,1H3
InChIKeyOTGASUGTHAUKJU-UHFFFAOYSA-N
XLogP3.97
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 53.97
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-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole
CID 57372994
4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 62829774
5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole
CID 102450262
1,2-bis[3-(3-methylphenyl)phenyl]-4,5-diphenylbenzene
CID 59552772
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
4-(2-methylphenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66205199
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198631
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole?
The IUPAC name of 5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole (CID 71567074) is 5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole.
What is the SMILES notation for 5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole?
The canonical SMILES for 5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole is Cc1cccc(-c2onc(-c3ccccc3)c2[Se]c2ccccc2)c1.
What is the InChIKey of 5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole?
The InChIKey is OTGASUGTHAUKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NOSe/c1-16-9-8-12-18(15-16)21-22(25-19-13-6-3-7-14-19)20(23-24-21)17-10-4-2-5-11-17/h2-15H,1H3.
What are the key properties of 5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole?
5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole has a molecular weight of 390.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-3-phenyl-4-phenylselanyl-1,2-oxazole is sourced from PubChem (CID 71567074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).