N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C18H18N4O4 — CID 144981675

About N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 144981675) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 144981675
• Molecular Formula: C18H18N4O4
• Molecular Weight: 354.37 g/mol
• Exact Mass: 354.13
• IUPAC Name: N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
• SMILES: CCc1nnc(C2CC(NC(=O)c3cc(-c4cccc(O)c4)on3)C2)o1
• InChI: InChI=1S/C18H18N4O4/c1-2-16-20-21-18(25-16)11-6-12(7-11)19-17(24)14-9-15(26-22-14)10-4-3-5-13(23)8-10/h3-5,8-9,11-12,23H,2,6-7H2,1H3,(H,19,24)
• InChIKey: GLOLTTXQIZQKBF-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 114.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.37
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 144981675) is N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is CCc1nnc(C2CC(NC(=O)c3cc(-c4cccc(O)c4)on3)C2)o1.

What is the InChIKey of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?

The InChIKey is GLOLTTXQIZQKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-2-16-20-21-18(25-16)11-6-12(7-11)19-17(24)14-9-15(26-22-14)10-4-3-5-13(23)8-10/h3-5,8-9,11-12,23H,2,6-7H2,1H3,(H,19,24).

What are the key properties of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?

N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 144981675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).