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

C18H21N3O4 — CID 8956354

IUPAC1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
SMILESCc1cc(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)no1
InChIInChI=1S/C18H21N3O4/c1-10-2-14(19-25-10)9-20-15(22)16(23)21(17(20)24)18-6-11-3-12(7-18)5-13(4-11)8-18/h2,11-13H,3-9H2,1H3
InChIKeyJWJFRAZYDHTSRX-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.24
Rot. Bonds3

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

1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 8956354) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID8956354
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
SMILESCc1cc(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)no1
InChIInChI=1S/C18H21N3O4/c1-10-2-14(19-25-10)9-20-15(22)16(23)21(17(20)24)18-6-11-3-12(7-18)5-13(4-11)8-18/h2,11-13H,3-9H2,1H3
InChIKeyJWJFRAZYDHTSRX-UHFFFAOYSA-N
XLogP2.24
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione (CID 8956354) is 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione is Cc1cc(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)no1.
What is the InChIKey of 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is JWJFRAZYDHTSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-10-2-14(19-25-10)9-20-15(22)16(23)21(17(20)24)18-6-11-3-12(7-18)5-13(4-11)8-18/h2,11-13H,3-9H2,1H3.
What are the key properties of 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione?
1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 343.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 8956354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).