N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide

C20H21N3O4 — CID 42581185

About N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42581185) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 42581185
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide
• SMILES: CC(C)Oc1ccc(-c2noc(C(=O)NCCc3ccc(O)cc3)n2)cc1
• InChI: InChI=1S/C20H21N3O4/c1-13(2)26-17-9-5-15(6-10-17)18-22-20(27-23-18)19(25)21-12-11-14-3-7-16(24)8-4-14/h3-10,13,24H,11-12H2,1-2H3,(H,21,25)
• InChIKey: DPXRIDINLZOPNE-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 97.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide (CID 42581185) is N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide is CC(C)Oc1ccc(-c2noc(C(=O)NCCc3ccc(O)cc3)n2)cc1.

What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is DPXRIDINLZOPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13(2)26-17-9-5-15(6-10-17)18-22-20(27-23-18)19(25)21-12-11-14-3-7-16(24)8-4-14/h3-10,13,24H,11-12H2,1-2H3,(H,21,25).

What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide?

N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42581185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).