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

C25H17N7O7 — CID 58443560

IUPAC2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESC=CCc1nc(-c2nc(-c3nc(CNC(=O)c4coc(-c5coc(-c6coc(C=C)n6)n5)n4)co3)co2)co1
InChIInChI=1S/C25H17N7O7/c1-3-5-20-29-16(10-35-20)24-31-17(11-38-24)22-27-13(7-36-22)6-26-21(33)14-8-37-25(30-14)18-12-39-23(32-18)15-9-34-19(4-2)28-15/h3-4,7-12H,1-2,5-6H2,(H,26,33)
InChIKeyVNNPACDOLNFDIC-UHFFFAOYSA-N
MW527.45 g/mol
LogP4.58
Rot. Bonds10

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

2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 58443560) has the molecular formula C25H17N7O7 and a molecular weight of 527.45 g/mol. Its IUPAC name is 2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID58443560
Molecular FormulaC25H17N7O7
Molecular Weight527.45 g/mol
Exact Mass527.12
IUPAC Name2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESC=CCc1nc(-c2nc(-c3nc(CNC(=O)c4coc(-c5coc(-c6coc(C=C)n6)n5)n4)co3)co2)co1
InChIInChI=1S/C25H17N7O7/c1-3-5-20-29-16(10-35-20)24-31-17(11-38-24)22-27-13(7-36-22)6-26-21(33)14-8-37-25(30-14)18-12-39-23(32-18)15-9-34-19(4-2)28-15/h3-4,7-12H,1-2,5-6H2,(H,26,33)
InChIKeyVNNPACDOLNFDIC-UHFFFAOYSA-N
XLogP4.58
TPSA185.28 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide (CID 58443560) is 2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide is C=CCc1nc(-c2nc(-c3nc(CNC(=O)c4coc(-c5coc(-c6coc(C=C)n6)n5)n4)co3)co2)co1.
What is the InChIKey of 2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VNNPACDOLNFDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N7O7/c1-3-5-20-29-16(10-35-20)24-31-17(11-38-24)22-27-13(7-36-22)6-26-21(33)14-8-37-25(30-14)18-12-39-23(32-18)15-9-34-19(4-2)28-15/h3-4,7-12H,1-2,5-6H2,(H,26,33).
What are the key properties of 2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide?
2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 527.45 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethenyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-N-[[2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58443560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).