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

C21H19NOSe — CID 57372994

IUPAC5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole
SMILESC1=C(c2onc(-c3ccccc3)c2[Se]c2ccccc2)CCCC1
InChIInChI=1S/C21H19NOSe/c1-4-10-16(11-5-1)19-21(24-18-14-8-3-9-15-18)20(23-22-19)17-12-6-2-7-13-17/h1,3-5,8-12,14-15H,2,6-7,13H2
InChIKeyGDCNYUJVVURCAY-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.95
Rot. Bonds4

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

5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole (PubChem CID 57372994) has the molecular formula C21H19NOSe and a molecular weight of 380.35 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole
PubChem CID57372994
Molecular FormulaC21H19NOSe
Molecular Weight380.35 g/mol
Exact Mass381.06
IUPAC Name5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole
SMILESC1=C(c2onc(-c3ccccc3)c2[Se]c2ccccc2)CCCC1
InChIInChI=1S/C21H19NOSe/c1-4-10-16(11-5-1)19-21(24-18-14-8-3-9-15-18)20(23-22-19)17-12-6-2-7-13-17/h1,3-5,8-12,14-15H,2,6-7,13H2
InChIKeyGDCNYUJVVURCAY-UHFFFAOYSA-N
XLogP3.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.95
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-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole
CID 102450262
2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole
CID 140988457
1-(4-phenylphenyl)cycloheptene
CID 58982123
1-(2-phenylphenyl)cycloheptene
CID 71332036
3,5-diphenyl-1,2-oxazol-4-amine
CID 15554723
[4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone
CID 101228026
3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole
CID 153492990
1-chloro-3-[4-(cyclohexen-1-yl)phenyl]-5-(3-phenylphenyl)benzene
CID 170132096
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
3-phenylbenzo[f][1,2]benzoxazole-4,9-dione
CID 15185268

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole?
The IUPAC name of 5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole (CID 57372994) is 5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole.
What is the SMILES notation for 5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole?
The canonical SMILES for 5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole is C1=C(c2onc(-c3ccccc3)c2[Se]c2ccccc2)CCCC1.
What is the InChIKey of 5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole?
The InChIKey is GDCNYUJVVURCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOSe/c1-4-10-16(11-5-1)19-21(24-18-14-8-3-9-15-18)20(23-22-19)17-12-6-2-7-13-17/h1,3-5,8-12,14-15H,2,6-7,13H2.
What are the key properties of 5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole?
5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole has a molecular weight of 380.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-3-phenyl-4-phenylselanyl-1,2-oxazole is sourced from PubChem (CID 57372994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).