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

C13H18N4O4 — CID 164640339

IUPAC2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCCc1c(C)noc1NC(=O)C[C@H]1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C13H18N4O4/c1-5-8-7(2)15-21-11(8)14-10(18)6-9-12(19)17(4)13(20)16(9)3/h9H,5-6H2,1-4H3,(H,14,18)/t9-/m0/s1
InChIKeyFXYYZFYQNFFSNK-VIFPVBQESA-N
MW294.31 g/mol
LogP0.77
Rot. Bonds4

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

2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 164640339) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID164640339
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCCc1c(C)noc1NC(=O)C[C@H]1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C13H18N4O4/c1-5-8-7(2)15-21-11(8)14-10(18)6-9-12(19)17(4)13(20)16(9)3/h9H,5-6H2,1-4H3,(H,14,18)/t9-/m0/s1
InChIKeyFXYYZFYQNFFSNK-VIFPVBQESA-N
XLogP0.77
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
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)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide (CID 164640339) is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide is CCc1c(C)noc1NC(=O)C[C@H]1C(=O)N(C)C(=O)N1C.
What is the InChIKey of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is FXYYZFYQNFFSNK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N4O4/c1-5-8-7(2)15-21-11(8)14-10(18)6-9-12(19)17(4)13(20)16(9)3/h9H,5-6H2,1-4H3,(H,14,18)/t9-/m0/s1.
What are the key properties of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide?
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 164640339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).