2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

C27H30FN5O3 — CID 123948904

About 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 123948904) has the molecular formula C27H30FN5O3 and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
• PubChem CID: 123948904
• Molecular Formula: C27H30FN5O3
• Molecular Weight: 491.57 g/mol
• Exact Mass: 491.23
• IUPAC Name: 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
• SMILES: COCC1NN=C(C2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)O1
• InChI: InChI=1S/C27H30FN5O3/c1-18-14-21(8-9-22(18)28)23-15-24(19-6-4-3-5-7-19)33(31-23)16-26(34)32-12-10-20(11-13-32)27-30-29-25(36-27)17-35-2/h3-9,14-15,20,25,29H,10-13,16-17H2,1-2H3
• InChIKey: JSYIMKAEPIYREM-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 80.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.57
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 123948904) is 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is COCC1NN=C(C2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)O1.

What is the InChIKey of 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?

The InChIKey is JSYIMKAEPIYREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O3/c1-18-14-21(8-9-22(18)28)23-15-24(19-6-4-3-5-7-19)33(31-23)16-26(34)32-12-10-20(11-13-32)27-30-29-25(36-27)17-35-2/h3-9,14-15,20,25,29H,10-13,16-17H2,1-2H3.

What are the key properties of 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?

2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 491.57 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 123948904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).