2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide

C19H19FN4O3 — CID 66558624

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide (PubChem CID 66558624) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide.

Molecular Properties

• Compound Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide
• PubChem CID: 66558624
• Molecular Formula: C19H19FN4O3
• Molecular Weight: 370.38 g/mol
• Exact Mass: 370.14
• IUPAC Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide
• SMILES: Cc1noc(C)c1-c1c(-c2ccc(O)cc2F)c2c(n1/C(N)=N/O)CCC2
• InChI: InChI=1S/C19H19FN4O3/c1-9-16(10(2)27-23-9)18-17(12-7-6-11(25)8-14(12)20)13-4-3-5-15(13)24(18)19(21)22-26/h6-8,25-26H,3-5H2,1-2H3,(H2,21,22)
• InChIKey: VHYPBOFSVYWLEE-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 109.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.38
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide?

The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide (CID 66558624) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide.

What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide?

The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide is Cc1noc(C)c1-c1c(-c2ccc(O)cc2F)c2c(n1/C(N)=N/O)CCC2.

What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide?

The InChIKey is VHYPBOFSVYWLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-9-16(10(2)27-23-9)18-17(12-7-6-11(25)8-14(12)20)13-4-3-5-15(13)24(18)19(21)22-26/h6-8,25-26H,3-5H2,1-2H3,(H2,21,22).

What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide?

2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide has a molecular weight of 370.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboximidamide is sourced from PubChem (CID 66558624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).