2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

C23H29N5O5 — CID 10161388

IUPAC2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
SMILESCc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)N[C@H](C(C)C)C3=O)C(C)C)o2)c1
InChIInChI=1S/C23H29N5O5/c1-12(2)18(24-16(29)11-28-22(31)19(13(3)4)25-23(28)32)20(30)21-27-26-17(33-21)10-15-8-6-7-14(5)9-15/h6-9,12-13,18-19H,10-11H2,1-5H3,(H,24,29)(H,25,32)/t18-,19+/m0/s1
InChIKeyDWEGAKYZZLWLRF-RBUKOAKNSA-N
MW455.52 g/mol
LogP1.87
Rot. Bonds9

About 2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (PubChem CID 10161388) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
PubChem CID10161388
Molecular FormulaC23H29N5O5
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC Name2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
SMILESCc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)N[C@H](C(C)C)C3=O)C(C)C)o2)c1
InChIInChI=1S/C23H29N5O5/c1-12(2)18(24-16(29)11-28-22(31)19(13(3)4)25-23(28)32)20(30)21-27-26-17(33-21)10-15-8-6-7-14(5)9-15/h6-9,12-13,18-19H,10-11H2,1-5H3,(H,24,29)(H,25,32)/t18-,19+/m0/s1
InChIKeyDWEGAKYZZLWLRF-RBUKOAKNSA-N
XLogP1.87
TPSA134.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (CID 10161388) is 2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)N[C@H](C(C)C)C3=O)C(C)C)o2)c1.
What is the InChIKey of 2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The InChIKey is DWEGAKYZZLWLRF-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-12(2)18(24-16(29)11-28-22(31)19(13(3)4)25-23(28)32)20(30)21-27-26-17(33-21)10-15-8-6-7-14(5)9-15/h6-9,12-13,18-19H,10-11H2,1-5H3,(H,24,29)(H,25,32)/t18-,19+/m0/s1.
What are the key properties of 2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide has a molecular weight of 455.52 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 10161388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).