[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride

C25H38ClN5O4 — CID 10720413

About [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride

[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride (PubChem CID 10720413) has the molecular formula C25H38ClN5O4 and a molecular weight of 508.06 g/mol. Its IUPAC name is [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride.

Molecular Properties

• Compound Name: [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride
• PubChem CID: 10720413
• Molecular Formula: C25H38ClN5O4
• Molecular Weight: 508.06 g/mol
• Exact Mass: 507.26
• IUPAC Name: [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride
• SMILES: CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]([NH3+])C(C)C)C(O)c1nnc(C(C)(C)C)o1.[Cl-]
• InChI: InChI=1S/C25H37N5O4.ClH/c1-13(2)18(26)23(33)30-16-11-9-8-10-15(16)12-17(30)21(32)27-19(14(3)4)20(31)22-28-29-24(34-22)25(5,6)7;/h8-11,13-14,17-20,31H,12,26H2,1-7H3,(H,27,32);1H/t17-,18-,19-,20?;/m0./s1
• InChIKey: CBUZFIDVLADHKW-GNHLMGPRSA-N
• XLogP: -1.23
• TPSA: 136.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.06
LogP ≤ 5	-1.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride?

The IUPAC name of [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride (CID 10720413) is [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride.

What is the SMILES notation for [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride?

The canonical SMILES for [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride is CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]([NH3+])C(C)C)C(O)c1nnc(C(C)(C)C)o1.[Cl-].

What is the InChIKey of [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride?

The InChIKey is CBUZFIDVLADHKW-GNHLMGPRSA-N. The full InChI is InChI=1S/C25H37N5O4.ClH/c1-13(2)18(26)23(33)30-16-11-9-8-10-15(16)12-17(30)21(32)27-19(14(3)4)20(31)22-28-29-24(34-22)25(5,6)7;/h8-11,13-14,17-20,31H,12,26H2,1-7H3,(H,27,32);1H/t17-,18-,19-,20?;/m0./s1.

What are the key properties of [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride?

[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride has a molecular weight of 508.06 g/mol, XLogP of -1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride is sourced from PubChem (CID 10720413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).