4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole

C26H18N6O6 — CID 58443568

IUPAC4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole
SMILESC=CCc1nc(-c2nc(-c3nc(/C=C/Cc4nc(-c5nc(-c6nc(C=C)co6)co5)co4)co3)co2)co1
InChIInChI=1S/C26H18N6O6/c1-3-6-21-29-17(11-33-21)25-32-20(14-38-25)24-28-16(10-36-24)7-5-8-22-30-18(12-34-22)26-31-19(13-37-26)23-27-15(4-2)9-35-23/h3-5,7,9-14H,1-2,6,8H2/b7-5+
InChIKeyDNHTVKNPKJVEAH-FNORWQNLSA-N
MW510.47 g/mol
LogP5.91
Rot. Bonds10

About 4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole

4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole (PubChem CID 58443568) has the molecular formula C26H18N6O6 and a molecular weight of 510.47 g/mol. Its IUPAC name is 4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole
PubChem CID58443568
Molecular FormulaC26H18N6O6
Molecular Weight510.47 g/mol
Exact Mass510.13
IUPAC Name4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole
SMILESC=CCc1nc(-c2nc(-c3nc(/C=C/Cc4nc(-c5nc(-c6nc(C=C)co6)co5)co4)co3)co2)co1
InChIInChI=1S/C26H18N6O6/c1-3-6-21-29-17(11-33-21)25-32-20(14-38-25)24-28-16(10-36-24)7-5-8-22-30-18(12-34-22)26-31-19(13-37-26)23-27-15(4-2)9-35-23/h3-5,7,9-14H,1-2,6,8H2/b7-5+
InChIKeyDNHTVKNPKJVEAH-FNORWQNLSA-N
XLogP5.91
TPSA156.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500510.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole?
The IUPAC name of 4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole (CID 58443568) is 4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole?
The canonical SMILES for 4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole is C=CCc1nc(-c2nc(-c3nc(/C=C/Cc4nc(-c5nc(-c6nc(C=C)co6)co5)co4)co3)co2)co1.
What is the InChIKey of 4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole?
The InChIKey is DNHTVKNPKJVEAH-FNORWQNLSA-N. The full InChI is InChI=1S/C26H18N6O6/c1-3-6-21-29-17(11-33-21)25-32-20(14-38-25)24-28-16(10-36-24)7-5-8-22-30-18(12-34-22)26-31-19(13-37-26)23-27-15(4-2)9-35-23/h3-5,7,9-14H,1-2,6,8H2/b7-5+.
What are the key properties of 4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole?
4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole has a molecular weight of 510.47 g/mol, XLogP of 5.91, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-[2-[2-[(E)-3-[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]prop-2-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 58443568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).