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

C14H11N3O4S — CID 56785010

IUPAC1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(Cc2ncc(-c3cccs3)o2)C1=O
InChIInChI=1S/C14H11N3O4S/c1-2-5-16-12(18)13(19)17(14(16)20)8-11-15-7-9(21-11)10-4-3-6-22-10/h2-4,6-7H,1,5,8H2
InChIKeyFVDHQMWDCHVDOA-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.88
Rot. Bonds5

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

1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 56785010) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID56785010
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC Name1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(Cc2ncc(-c3cccs3)o2)C1=O
InChIInChI=1S/C14H11N3O4S/c1-2-5-16-12(18)13(19)17(14(16)20)8-11-15-7-9(21-11)10-4-3-6-22-10/h2-4,6-7H,1,5,8H2
InChIKeyFVDHQMWDCHVDOA-UHFFFAOYSA-N
XLogP1.88
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.88
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[2-(Pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide
CID 122187179
5-(Thiophen-2-yl)-1,3-oxazole
CID 2797208
1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
CID 56784899
1-Cyclopropyl-2,4-dioxo-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrimidine-5-carbonitrile
CID 56785038
5-Methyl-2-(thiophen-2-yl)oxazole
CID 10464675
1-(5-(Thiophen-2-yl)-1,3-oxazol-2-yl)methanamine hydrochloride
CID 119106305
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
CID 56784904
2-[(4,5-Dimethylimidazol-1-yl)methyl]-5-thiophen-2-yl-1,3-oxazole
CID 132282710
5-(Phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole
CID 135044831
2-(2-Methylpropyl)-5-thiophen-2-yl-1,3-oxazole
CID 138969870
2-(2-Methylpropyl)-5-thiophen-3-yl-1,3-oxazole
CID 138970179
[5-(Thiophen-2-yl)-1,3-oxazol-2-yl]methanamine
CID 24254942

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione (CID 56785010) is 1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione is C=CCN1C(=O)C(=O)N(Cc2ncc(-c3cccs3)o2)C1=O.
What is the InChIKey of 1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is FVDHQMWDCHVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c1-2-5-16-12(18)13(19)17(14(16)20)8-11-15-7-9(21-11)10-4-3-6-22-10/h2-4,6-7H,1,5,8H2.
What are the key properties of 1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione?
1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 317.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 56785010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).