(5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione

C16H17N3O3 — CID 51981221

IUPAC(5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O
InChIInChI=1S/C16H17N3O3/c1-10(2)13-15(20)19(16(21)18-13)8-12-9-22-14(17-12)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyNVDQPKJDYGLJMR-ZDUSSCGKSA-N
MW299.33 g/mol
LogP2.42
Rot. Bonds4

About (5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione

(5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 51981221) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID51981221
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O
InChIInChI=1S/C16H17N3O3/c1-10(2)13-15(20)19(16(21)18-13)8-12-9-22-14(17-12)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyNVDQPKJDYGLJMR-ZDUSSCGKSA-N
XLogP2.42
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 51981221) is (5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)[C@@H]1NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O.
What is the InChIKey of (5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is NVDQPKJDYGLJMR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(2)13-15(20)19(16(21)18-13)8-12-9-22-14(17-12)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 299.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 51981221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).