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

C28H23N7O7 — CID 58443552

IUPACN-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESC=CCc1nc(-c2nc(-c3nc(C(=O)NC(CCC)c4nc(-c5nc(-c6nc(C=C)co6)co5)co4)co3)co2)co1
InChIInChI=1S/C28H23N7O7/c1-4-7-16(24-33-21(13-40-24)28-34-19(12-42-28)25-29-15(6-3)9-38-25)31-23(36)17-10-39-27(32-17)20-14-41-26(35-20)18-11-37-22(30-18)8-5-2/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,31,36)
InChIKeyTWPWFDMGYBDXEH-UHFFFAOYSA-N
MW569.53 g/mol
LogP5.93
Rot. Bonds12

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

N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 58443552) has the molecular formula C28H23N7O7 and a molecular weight of 569.53 g/mol. Its IUPAC name is N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID58443552
Molecular FormulaC28H23N7O7
Molecular Weight569.53 g/mol
Exact Mass569.17
IUPAC NameN-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESC=CCc1nc(-c2nc(-c3nc(C(=O)NC(CCC)c4nc(-c5nc(-c6nc(C=C)co6)co5)co4)co3)co2)co1
InChIInChI=1S/C28H23N7O7/c1-4-7-16(24-33-21(13-40-24)28-34-19(12-42-28)25-29-15(6-3)9-38-25)31-23(36)17-10-39-27(32-17)20-14-41-26(35-20)18-11-37-22(30-18)8-5-2/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,31,36)
InChIKeyTWPWFDMGYBDXEH-UHFFFAOYSA-N
XLogP5.93
TPSA185.28 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500569.53
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide (CID 58443552) is N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide is C=CCc1nc(-c2nc(-c3nc(C(=O)NC(CCC)c4nc(-c5nc(-c6nc(C=C)co6)co5)co4)co3)co2)co1.
What is the InChIKey of N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is TWPWFDMGYBDXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O7/c1-4-7-16(24-33-21(13-40-24)28-34-19(12-42-28)25-29-15(6-3)9-38-25)31-23(36)17-10-39-27(32-17)20-14-41-26(35-20)18-11-37-22(30-18)8-5-2/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,31,36).
What are the key properties of N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide?
N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 569.53 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]butyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58443552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).