5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

C17H20N4O3 — CID 47020564

IUPAC5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCCc1noc(CN2C(=O)C(C)N(c3ccc(C)cc3)C2=O)n1
InChIInChI=1S/C17H20N4O3/c1-4-5-14-18-15(24-19-14)10-20-16(22)12(3)21(17(20)23)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3
InChIKeyVNPOUXKTJMPSTF-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.69
Rot. Bonds5

About 5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 47020564) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID47020564
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCCc1noc(CN2C(=O)C(C)N(c3ccc(C)cc3)C2=O)n1
InChIInChI=1S/C17H20N4O3/c1-4-5-14-18-15(24-19-14)10-20-16(22)12(3)21(17(20)23)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3
InChIKeyVNPOUXKTJMPSTF-UHFFFAOYSA-N
XLogP2.69
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (CID 47020564) is 5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is CCCc1noc(CN2C(=O)C(C)N(c3ccc(C)cc3)C2=O)n1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is VNPOUXKTJMPSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-4-5-14-18-15(24-19-14)10-20-16(22)12(3)21(17(20)23)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 328.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 47020564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).