1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione

C18H13N3O4S — CID 17407874

IUPAC1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(Cc2cccs2)C(=O)N1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H13N3O4S/c22-16-17(23)21(11-14-7-4-8-26-14)18(24)20(16)10-13-9-15(25-19-13)12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKeyIQYBBURKQXFYBA-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.89
Rot. Bonds5

About 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione

1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 17407874) has the molecular formula C18H13N3O4S and a molecular weight of 367.39 g/mol. Its IUPAC name is 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID17407874
Molecular FormulaC18H13N3O4S
Molecular Weight367.39 g/mol
Exact Mass367.06
IUPAC Name1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(Cc2cccs2)C(=O)N1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H13N3O4S/c22-16-17(23)21(11-14-7-4-8-26-14)18(24)20(16)10-13-9-15(25-19-13)12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKeyIQYBBURKQXFYBA-UHFFFAOYSA-N
XLogP2.89
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
CID 17407840
(3aR,7aR)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51530338
2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid
CID 21480801
5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 51244559
2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17441959
4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
CID 8548455
1,3-bis[(5-phenyl-1,2-oxazol-3-yl)methyl]-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 55602710
5-(furan-2-yl)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 47013283
(3R)-3'-[(5-phenyl-1,2-oxazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 41187001
1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 42947697
methyl (2E)-2-[4-oxo-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-thiazolidin-2-ylidene]acetate
CID 47077577
1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 24510574

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione (CID 17407874) is 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione is O=C1C(=O)N(Cc2cccs2)C(=O)N1Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is IQYBBURKQXFYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4S/c22-16-17(23)21(11-14-7-4-8-26-14)18(24)20(16)10-13-9-15(25-19-13)12-5-2-1-3-6-12/h1-9H,10-11H2.
What are the key properties of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 367.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 17407874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).