6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

C23H25N5O3 — CID 67096016

About 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 67096016) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

• Compound Name: 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
• PubChem CID: 67096016
• Molecular Formula: C23H25N5O3
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.20
• IUPAC Name: 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
• SMILES: CCc1cccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C23CC3)c1
• InChI: InChI=1S/C23H25N5O3/c1-4-17-6-5-7-18(10-17)12-27-22(30)28(21(29)23(27)8-9-23)19-11-24-26(13-19)14-20-15(2)25-31-16(20)3/h5-7,10-11,13H,4,8-9,12,14H2,1-3H3
• InChIKey: UQQKTLGSVRTFAQ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 84.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?

The IUPAC name of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 67096016) is 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

What is the SMILES notation for 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?

The canonical SMILES for 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is CCc1cccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C23CC3)c1.

What is the InChIKey of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?

The InChIKey is UQQKTLGSVRTFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-4-17-6-5-7-18(10-17)12-27-22(30)28(21(29)23(27)8-9-23)19-11-24-26(13-19)14-20-15(2)25-31-16(20)3/h5-7,10-11,13H,4,8-9,12,14H2,1-3H3.

What are the key properties of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?

6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 419.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-ethylphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 67096016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).