3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one

C21H23N5O3 — CID 91113462

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one (PubChem CID 91113462) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one.

Molecular Properties

• Compound Name: 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one
• PubChem CID: 91113462
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one
• SMILES: Cc1noc(C)c1Cn1cc(-n2c(O)cn(CCCc3ccccc3)c2=O)cn1
• InChI: InChI=1S/C21H23N5O3/c1-15-19(16(2)29-23-15)13-25-12-18(11-22-25)26-20(27)14-24(21(26)28)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,14,27H,6,9-10,13H2,1-2H3
• InChIKey: GVQWUILFWICNNK-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 91.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one?

The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one (CID 91113462) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one.

What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one?

The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one is Cc1noc(C)c1Cn1cc(-n2c(O)cn(CCCc3ccccc3)c2=O)cn1.

What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one?

The InChIKey is GVQWUILFWICNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-15-19(16(2)29-23-15)13-25-12-18(11-22-25)26-20(27)14-24(21(26)28)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,14,27H,6,9-10,13H2,1-2H3.

What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one?

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one has a molecular weight of 393.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one is sourced from PubChem (CID 91113462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).