N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide

C23H24N4O3 — CID 9178801

About N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide

N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide (PubChem CID 9178801) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
• PubChem CID: 9178801
• Molecular Formula: C23H24N4O3
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.18
• IUPAC Name: N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
• SMILES: CCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C23H24N4O3/c1-3-4-8-16-11-12-19-18(13-16)21(24-15(2)28)23(29)27(19)14-20-25-26-22(30-20)17-9-6-5-7-10-17/h5-7,9-13,21H,3-4,8,14H2,1-2H3,(H,24,28)/t21-/m0/s1
• InChIKey: DEBGBOVTIOVQAH-NRFANRHFSA-N
• XLogP: 3.80
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide?

The IUPAC name of N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide (CID 9178801) is N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide.

What is the SMILES notation for N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide?

The canonical SMILES for N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide is CCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1nnc(-c2ccccc2)o1.

What is the InChIKey of N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide?

The InChIKey is DEBGBOVTIOVQAH-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-3-4-8-16-11-12-19-18(13-16)21(24-15(2)28)23(29)27(19)14-20-25-26-22(30-20)17-9-6-5-7-10-17/h5-7,9-13,21H,3-4,8,14H2,1-2H3,(H,24,28)/t21-/m0/s1.

What are the key properties of N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide?

N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).