ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate

C24H25ClN4O4 — CID 59318384

About ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate

ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate (PubChem CID 59318384) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate.

Molecular Properties

• Compound Name: ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate
• PubChem CID: 59318384
• Molecular Formula: C24H25ClN4O4
• Molecular Weight: 468.94 g/mol
• Exact Mass: 468.16
• IUPAC Name: ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate
• SMILES: CCOC(=O)CCCn1ccc2c(-c3noc(-c4cnc(OC(C)C)c(Cl)c4)n3)cccc21
• InChI: InChI=1S/C24H25ClN4O4/c1-4-31-21(30)9-6-11-29-12-10-17-18(7-5-8-20(17)29)22-27-23(33-28-22)16-13-19(25)24(26-14-16)32-15(2)3/h5,7-8,10,12-15H,4,6,9,11H2,1-3H3
• InChIKey: DXSSGYBHTXKCNL-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 92.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.94
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate?

The IUPAC name of ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate (CID 59318384) is ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate.

What is the SMILES notation for ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate?

The canonical SMILES for ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate is CCOC(=O)CCCn1ccc2c(-c3noc(-c4cnc(OC(C)C)c(Cl)c4)n3)cccc21.

What is the InChIKey of ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate?

The InChIKey is DXSSGYBHTXKCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c1-4-31-21(30)9-6-11-29-12-10-17-18(7-5-8-20(17)29)22-27-23(33-28-22)16-13-19(25)24(26-14-16)32-15(2)3/h5,7-8,10,12-15H,4,6,9,11H2,1-3H3.

What are the key properties of ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate?

ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate has a molecular weight of 468.94 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate is sourced from PubChem (CID 59318384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).