1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one

C19H20N6O3 — CID 91192572

About 1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one

1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one (PubChem CID 91192572) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one.

Molecular Properties

• Compound Name: 1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one
• PubChem CID: 91192572
• Molecular Formula: C19H20N6O3
• Molecular Weight: 380.41 g/mol
• Exact Mass: 380.16
• IUPAC Name: 1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one
• SMILES: Cc1noc(C)c1Cn1cc(-n2c(O)cn(Cc3ccccc3N)c2=O)cn1
• InChI: InChI=1S/C19H20N6O3/c1-12-16(13(2)28-22-12)10-24-9-15(7-21-24)25-18(26)11-23(19(25)27)8-14-5-3-4-6-17(14)20/h3-7,9,11,26H,8,10,20H2,1-2H3
• InChIKey: YLRCAIHXLAPRCQ-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 117.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.41
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one (CID 91192572) is 1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one.

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

The canonical SMILES for 1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one is Cc1noc(C)c1Cn1cc(-n2c(O)cn(Cc3ccccc3N)c2=O)cn1.

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

The InChIKey is YLRCAIHXLAPRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-12-16(13(2)28-22-12)10-24-9-15(7-21-24)25-18(26)11-23(19(25)27)8-14-5-3-4-6-17(14)20/h3-7,9,11,26H,8,10,20H2,1-2H3.

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

1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one has a molecular weight of 380.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one is sourced from PubChem (CID 91192572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).