N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C23H22N4O4S2 — CID 123231857

IUPACN-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1csc(-c2cc(C(=O)NC3CCC3)no2)c1)c1cc(-c2cccs2)on1
InChIInChI=1S/C23H22N4O4S2/c28-22(16-11-18(30-26-16)20-7-3-9-32-20)24-8-2-4-14-10-21(33-13-14)19-12-17(27-31-19)23(29)25-15-5-1-6-15/h3,7,9-13,15H,1-2,4-6,8H2,(H,24,28)(H,25,29)
InChIKeyUNBVVXVCFJZILI-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.76
Rot. Bonds9

About N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 123231857) has the molecular formula C23H22N4O4S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID123231857
Molecular FormulaC23H22N4O4S2
Molecular Weight482.59 g/mol
Exact Mass482.11
IUPAC NameN-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1csc(-c2cc(C(=O)NC3CCC3)no2)c1)c1cc(-c2cccs2)on1
InChIInChI=1S/C23H22N4O4S2/c28-22(16-11-18(30-26-16)20-7-3-9-32-20)24-8-2-4-14-10-21(33-13-14)19-12-17(27-31-19)23(29)25-15-5-1-6-15/h3,7,9-13,15H,1-2,4-6,8H2,(H,24,28)(H,25,29)
InChIKeyUNBVVXVCFJZILI-UHFFFAOYSA-N
XLogP4.76
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 123231857) is N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCCc1csc(-c2cc(C(=O)NC3CCC3)no2)c1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is UNBVVXVCFJZILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S2/c28-22(16-11-18(30-26-16)20-7-3-9-32-20)24-8-2-4-14-10-21(33-13-14)19-12-17(27-31-19)23(29)25-15-5-1-6-15/h3,7,9-13,15H,1-2,4-6,8H2,(H,24,28)(H,25,29).
What are the key properties of N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[3-(cyclobutylcarbamoyl)-1,2-oxazol-5-yl]thiophen-3-yl]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 123231857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).