1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione

C16H15N3O4 — CID 34634227

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione
SMILESCc1cc(CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)on1
InChIInChI=1S/C16H15N3O4/c1-10-8-13(23-17-10)9-18-14(20)15(21)19(16(18)22)11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3/t11-/m0/s1
InChIKeySBINBIIFKRWPRA-NSHDSACASA-N
MW313.31 g/mol
LogP2.04
Rot. Bonds4

About 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione (PubChem CID 34634227) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione
PubChem CID34634227
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione
SMILESCc1cc(CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)on1
InChIInChI=1S/C16H15N3O4/c1-10-8-13(23-17-10)9-18-14(20)15(21)19(16(18)22)11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3/t11-/m0/s1
InChIKeySBINBIIFKRWPRA-NSHDSACASA-N
XLogP2.04
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione (CID 34634227) is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione is Cc1cc(CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione?
The InChIKey is SBINBIIFKRWPRA-NSHDSACASA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-8-13(23-17-10)9-18-14(20)15(21)19(16(18)22)11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione?
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione has a molecular weight of 313.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 34634227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).