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

C28H23N7O7 — CID 25023553

IUPACN-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-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)N[C@H](c4nc(-c5nc(-c6nc(C=C)co6)co5)co4)C(C)C)co3)co2)co1
InChIInChI=1S/C28H23N7O7/c1-5-7-21-30-17(10-37-21)25-33-19(12-40-25)26-31-16(9-39-26)23(36)35-22(14(3)4)28-34-20(13-42-28)27-32-18(11-41-27)24-29-15(6-2)8-38-24/h5-6,8-14,22H,1-2,7H2,3-4H3,(H,35,36)/t22-/m0/s1
InChIKeyNKJDVKMMMTVEHN-QFIPXVFZSA-N
MW569.53 g/mol
LogP5.78
Rot. Bonds11

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

N-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 25023553) has the molecular formula C28H23N7O7 and a molecular weight of 569.53 g/mol. Its IUPAC name is N-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-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-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID25023553
Molecular FormulaC28H23N7O7
Molecular Weight569.53 g/mol
Exact Mass569.17
IUPAC NameN-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-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)N[C@H](c4nc(-c5nc(-c6nc(C=C)co6)co5)co4)C(C)C)co3)co2)co1
InChIInChI=1S/C28H23N7O7/c1-5-7-21-30-17(10-37-21)25-33-19(12-40-25)26-31-16(9-39-26)23(36)35-22(14(3)4)28-34-20(13-42-28)27-32-18(11-41-27)24-29-15(6-2)8-38-24/h5-6,8-14,22H,1-2,7H2,3-4H3,(H,35,36)/t22-/m0/s1
InChIKeyNKJDVKMMMTVEHN-QFIPXVFZSA-N
XLogP5.78
TPSA185.28 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500569.53
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-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-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-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-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide (CID 25023553) is N-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-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-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-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-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-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)N[C@H](c4nc(-c5nc(-c6nc(C=C)co6)co5)co4)C(C)C)co3)co2)co1.
What is the InChIKey of N-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is NKJDVKMMMTVEHN-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H23N7O7/c1-5-7-21-30-17(10-37-21)25-33-19(12-40-25)26-31-16(9-39-26)23(36)35-22(14(3)4)28-34-20(13-42-28)27-32-18(11-41-27)24-29-15(6-2)8-38-24/h5-6,8-14,22H,1-2,7H2,3-4H3,(H,35,36)/t22-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-2-[2-(2-prop-2-enyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide?
N-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-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 5.78, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[4-(4-ethenyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2-methylpropyl]-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 25023553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).