2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde

C26H21N7O8 — CID 88905867

IUPAC2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde
SMILESCC(C)C(N)c1nc(-c2nc(-c3nc(C(O)/C=C/c4nc(-c5nc(-c6nc(C=O)co6)co5)co4)co3)co2)co1
InChIInChI=1S/C26H21N7O8/c1-12(2)21(27)26-33-18(11-41-26)25-32-17(10-40-25)24-30-14(7-38-24)19(35)3-4-20-29-15(8-36-20)23-31-16(9-39-23)22-28-13(5-34)6-37-22/h3-12,19,21,35H,27H2,1-2H3/b4-3+
InChIKeyHHLKYJSXOYGHPR-ONEGZZNKSA-N
MW559.50 g/mol
LogP4.50
Rot. Bonds10

About 2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde

2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde (PubChem CID 88905867) has the molecular formula C26H21N7O8 and a molecular weight of 559.50 g/mol. Its IUPAC name is 2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde
PubChem CID88905867
Molecular FormulaC26H21N7O8
Molecular Weight559.50 g/mol
Exact Mass559.15
IUPAC Name2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde
SMILESCC(C)C(N)c1nc(-c2nc(-c3nc(C(O)/C=C/c4nc(-c5nc(-c6nc(C=O)co6)co5)co4)co3)co2)co1
InChIInChI=1S/C26H21N7O8/c1-12(2)21(27)26-33-18(11-41-26)25-32-17(10-40-25)24-30-14(7-38-24)19(35)3-4-20-29-15(8-36-20)23-31-16(9-39-23)22-28-13(5-34)6-37-22/h3-12,19,21,35H,27H2,1-2H3/b4-3+
InChIKeyHHLKYJSXOYGHPR-ONEGZZNKSA-N
XLogP4.50
TPSA219.50 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde (CID 88905867) is 2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde is CC(C)C(N)c1nc(-c2nc(-c3nc(C(O)/C=C/c4nc(-c5nc(-c6nc(C=O)co6)co5)co4)co3)co2)co1.
What is the InChIKey of 2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde?
The InChIKey is HHLKYJSXOYGHPR-ONEGZZNKSA-N. The full InChI is InChI=1S/C26H21N7O8/c1-12(2)21(27)26-33-18(11-41-26)25-32-17(10-40-25)24-30-14(7-38-24)19(35)3-4-20-29-15(8-36-20)23-31-16(9-39-23)22-28-13(5-34)6-37-22/h3-12,19,21,35H,27H2,1-2H3/b4-3+.
What are the key properties of 2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde?
2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde has a molecular weight of 559.50 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(E)-3-[2-[2-[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-3-hydroxyprop-1-enyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 88905867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).