3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C18H21N5O4 — CID 120862676

About 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 120862676) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
• PubChem CID: 120862676
• Molecular Formula: C18H21N5O4
• Molecular Weight: 371.40 g/mol
• Exact Mass: 371.16
• IUPAC Name: 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
• SMILES: COc1ccc(C2(C)NC(=O)N(Cc3nc(C4(N)CCC4)no3)C2=O)cc1
• InChI: InChI=1S/C18H21N5O4/c1-17(11-4-6-12(26-2)7-5-11)15(24)23(16(25)21-17)10-13-20-14(22-27-13)18(19)8-3-9-18/h4-7H,3,8-10,19H2,1-2H3,(H,21,25)
• InChIKey: CZZZCYISCKTCPZ-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 123.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.40
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?

The IUPAC name of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 120862676) is 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(Cc3nc(C4(N)CCC4)no3)C2=O)cc1.

What is the InChIKey of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?

The InChIKey is CZZZCYISCKTCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-17(11-4-6-12(26-2)7-5-11)15(24)23(16(25)21-17)10-13-20-14(22-27-13)18(19)8-3-9-18/h4-7H,3,8-10,19H2,1-2H3,(H,21,25).

What are the key properties of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?

3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 371.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 120862676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).