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

C19H24N4O4 — CID 47073138

IUPAC1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCCc1nc(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)no1
InChIInChI=1S/C19H24N4O4/c1-2-3-15-20-14(21-27-15)10-22-16(24)17(25)23(18(22)26)19-7-11-4-12(8-19)6-13(5-11)9-19/h11-13H,2-10H2,1H3
InChIKeySSLKDRRQUVRYBX-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.28
Rot. Bonds5

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

1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 47073138) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID47073138
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCCc1nc(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)no1
InChIInChI=1S/C19H24N4O4/c1-2-3-15-20-14(21-27-15)10-22-16(24)17(25)23(18(22)26)19-7-11-4-12(8-19)6-13(5-11)9-19/h11-13H,2-10H2,1H3
InChIKeySSLKDRRQUVRYBX-UHFFFAOYSA-N
XLogP2.28
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione (CID 47073138) is 1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione is CCCc1nc(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)no1.
What is the InChIKey of 1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is SSLKDRRQUVRYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-3-15-20-14(21-27-15)10-22-16(24)17(25)23(18(22)26)19-7-11-4-12(8-19)6-13(5-11)9-19/h11-13H,2-10H2,1H3.
What are the key properties of 1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione?
1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 372.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 47073138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).