N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C23H25N7O3 — CID 86885257

About N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 86885257) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 86885257
• Molecular Formula: C23H25N7O3
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.20
• IUPAC Name: N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CCN(CC)C(=O)Cn1ccc2cc(NC(=O)CCc3nc(-c4ncccn4)no3)ccc21
• InChI: InChI=1S/C23H25N7O3/c1-3-29(4-2)21(32)15-30-13-10-16-14-17(6-7-18(16)30)26-19(31)8-9-20-27-23(28-33-20)22-24-11-5-12-25-22/h5-7,10-14H,3-4,8-9,15H2,1-2H3,(H,26,31)
• InChIKey: WKXPQCZLZCENDN-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 119.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 86885257) is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)CCc3nc(-c4ncccn4)no3)ccc21.

What is the InChIKey of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is WKXPQCZLZCENDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-3-29(4-2)21(32)15-30-13-10-16-14-17(6-7-18(16)30)26-19(31)8-9-20-27-23(28-33-20)22-24-11-5-12-25-22/h5-7,10-14H,3-4,8-9,15H2,1-2H3,(H,26,31).

What are the key properties of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 447.50 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 86885257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).