(2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide

C25H38N4O5 — CID 10254322

About (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide

(2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 10254322) has the molecular formula C25H38N4O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

• Compound Name: (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
• PubChem CID: 10254322
• Molecular Formula: C25H38N4O5
• Molecular Weight: 474.60 g/mol
• Exact Mass: 474.28
• IUPAC Name: (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
• SMILES: CC[C@@H](NC(=O)[C@H](CC(=O)N1CCOCC1)CC1(CC(C)C)CC1)C(=O)c1nc(C2CC2)no1
• InChI: InChI=1S/C25H38N4O5/c1-4-19(21(31)24-27-22(28-34-24)17-5-6-17)26-23(32)18(15-25(7-8-25)14-16(2)3)13-20(30)29-9-11-33-12-10-29/h16-19H,4-15H2,1-3H3,(H,26,32)/t18-,19-/m1/s1
• InChIKey: IKENRECMEUCAJG-RTBURBONSA-N
• XLogP: 3.11
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.60
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?

The IUPAC name of (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide (CID 10254322) is (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide.

What is the SMILES notation for (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?

The canonical SMILES for (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide is CC[C@@H](NC(=O)[C@H](CC(=O)N1CCOCC1)CC1(CC(C)C)CC1)C(=O)c1nc(C2CC2)no1.

What is the InChIKey of (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?

The InChIKey is IKENRECMEUCAJG-RTBURBONSA-N. The full InChI is InChI=1S/C25H38N4O5/c1-4-19(21(31)24-27-22(28-34-24)17-5-6-17)26-23(32)18(15-25(7-8-25)14-16(2)3)13-20(30)29-9-11-33-12-10-29/h16-19H,4-15H2,1-3H3,(H,26,32)/t18-,19-/m1/s1.

What are the key properties of (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?

(2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 474.60 g/mol, XLogP of 3.11, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 10254322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).