1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione

C16H14ClN3O4 — CID 17449837

IUPAC1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(Cc2cc(-c3ccc(Cl)cc3)no2)C1=O
InChIInChI=1S/C16H14ClN3O4/c1-9(2)20-15(22)14(21)19(16(20)23)8-12-7-13(18-24-12)10-3-5-11(17)6-4-10/h3-7,9H,8H2,1-2H3
InChIKeyREOMGTHCCCANEC-UHFFFAOYSA-N
MW347.76 g/mol
LogP2.69
Rot. Bonds4

About 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione

1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione (PubChem CID 17449837) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
PubChem CID17449837
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(Cc2cc(-c3ccc(Cl)cc3)no2)C1=O
InChIInChI=1S/C16H14ClN3O4/c1-9(2)20-15(22)14(21)19(16(20)23)8-12-7-13(18-24-12)10-3-5-11(17)6-4-10/h3-7,9H,8H2,1-2H3
InChIKeyREOMGTHCCCANEC-UHFFFAOYSA-N
XLogP2.69
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.69
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-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione (CID 17449837) is 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione is CC(C)N1C(=O)C(=O)N(Cc2cc(-c3ccc(Cl)cc3)no2)C1=O.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The InChIKey is REOMGTHCCCANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-9(2)20-15(22)14(21)19(16(20)23)8-12-7-13(18-24-12)10-3-5-11(17)6-4-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione has a molecular weight of 347.76 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione is sourced from PubChem (CID 17449837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).