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

C16H19N3O4 — CID 18099885

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione
SMILESCc1cc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)on1
InChIInChI=1S/C16H19N3O4/c1-11-9-13(23-17-11)10-19-15(21)14(20)18(16(19)22)8-7-12-5-3-2-4-6-12/h5,9H,2-4,6-8,10H2,1H3
InChIKeyXZYMDYUABYJZGG-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.16
Rot. Bonds5

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

1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 18099885) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID18099885
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione
SMILESCc1cc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)on1
InChIInChI=1S/C16H19N3O4/c1-11-9-13(23-17-11)10-19-15(21)14(20)18(16(19)22)8-7-12-5-3-2-4-6-12/h5,9H,2-4,6-8,10H2,1H3
InChIKeyXZYMDYUABYJZGG-UHFFFAOYSA-N
XLogP2.16
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.16
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4aS,8aR)-1-[2-(cyclohexen-1-yl)ethyl]-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56907754
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 18099793
1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 60581705
2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 18194541
3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17490213
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 52937766
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione
CID 34634227
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione
CID 51076439
1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione
CID 13247225
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[1-[(3R)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 41155916
methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
CID 1262163
N-[2-(cyclohexen-1-yl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950917

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione (CID 18099885) is 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione is Cc1cc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)on1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is XZYMDYUABYJZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-9-13(23-17-11)10-19-15(21)14(20)18(16(19)22)8-7-12-5-3-2-4-6-12/h5,9H,2-4,6-8,10H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione?
1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 317.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 18099885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).