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

C22H23N5O5 — CID 53375055

About 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-hydroxy-4-methoxyphenyl)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-hydroxy-4-methoxyphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 53375055) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-hydroxy-4-methoxyphenyl)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-hydroxy-4-methoxyphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
• PubChem CID: 53375055
• Molecular Formula: C22H23N5O5
• Molecular Weight: 437.46 g/mol
• Exact Mass: 437.17
• IUPAC Name: 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-hydroxy-4-methoxyphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
• SMILES: COc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C23CC3)cc1O
• InChI: InChI=1S/C22H23N5O5/c1-13-17(14(2)32-24-13)12-25-11-16(9-23-25)27-20(29)22(6-7-22)26(21(27)30)10-15-4-5-19(31-3)18(28)8-15/h4-5,8-9,11,28H,6-7,10,12H2,1-3H3
• InChIKey: IRCZSPSICVPEKJ-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 113.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.46
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-hydroxy-4-methoxyphenyl)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-hydroxy-4-methoxyphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 53375055) is 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-hydroxy-4-methoxyphenyl)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-hydroxy-4-methoxyphenyl)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-hydroxy-4-methoxyphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is COc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C23CC3)cc1O.

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

The InChIKey is IRCZSPSICVPEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-13-17(14(2)32-24-13)12-25-11-16(9-23-25)27-20(29)22(6-7-22)26(21(27)30)10-15-4-5-19(31-3)18(28)8-15/h4-5,8-9,11,28H,6-7,10,12H2,1-3H3.

What are the key properties of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-hydroxy-4-methoxyphenyl)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-hydroxy-4-methoxyphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 437.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-hydroxy-4-methoxyphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 53375055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).