ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate

C23H23ClN4O4 — CID 59316733

About ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate

ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate (PubChem CID 59316733) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate
• PubChem CID: 59316733
• Molecular Formula: C23H23ClN4O4
• Molecular Weight: 454.91 g/mol
• Exact Mass: 454.14
• IUPAC Name: ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate
• SMILES: CCOC(=O)CCn1cc2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc2n1
• InChI: InChI=1S/C23H23ClN4O4/c1-4-30-21(29)10-11-28-13-17-16(6-5-7-19(17)26-28)22-25-23(32-27-22)15-8-9-20(18(24)12-15)31-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3
• InChIKey: CWJCACDVULANHA-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 92.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.91
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate?

The IUPAC name of ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate (CID 59316733) is ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate.

What is the SMILES notation for ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate?

The canonical SMILES for ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate is CCOC(=O)CCn1cc2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc2n1.

What is the InChIKey of ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate?

The InChIKey is CWJCACDVULANHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-4-30-21(29)10-11-28-13-17-16(6-5-7-19(17)26-28)22-25-23(32-27-22)15-8-9-20(18(24)12-15)31-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3.

What are the key properties of ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate?

ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate has a molecular weight of 454.91 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate is sourced from PubChem (CID 59316733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).