2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide

C16H16N4O4 — CID 95875059

IUPAC2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)C[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C16H16N4O4/c1-20(14(21)8-13-15(22)18-16(23)17-13)9-11-7-12(19-24-11)10-5-3-2-4-6-10/h2-7,13H,8-9H2,1H3,(H2,17,18,22,23)/t13-/m0/s1
InChIKeyZSMXXLNVMAYKPA-ZDUSSCGKSA-N
MW328.33 g/mol
LogP0.90
Rot. Bonds5

About 2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide

2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 95875059) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID95875059
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)C[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C16H16N4O4/c1-20(14(21)8-13-15(22)18-16(23)17-13)9-11-7-12(19-24-11)10-5-3-2-4-6-10/h2-7,13H,8-9H2,1H3,(H2,17,18,22,23)/t13-/m0/s1
InChIKeyZSMXXLNVMAYKPA-ZDUSSCGKSA-N
XLogP0.90
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide (CID 95875059) is 2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide is CN(Cc1cc(-c2ccccc2)no1)C(=O)C[C@@H]1NC(=O)NC1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is ZSMXXLNVMAYKPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-20(14(21)8-13-15(22)18-16(23)17-13)9-11-7-12(19-24-11)10-5-3-2-4-6-10/h2-7,13H,8-9H2,1H3,(H2,17,18,22,23)/t13-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide?
2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 328.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 95875059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).