N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C22H26FN5O2 — CID 56553250

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 56553250) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 56553250
• Molecular Formula: C22H26FN5O2
• Molecular Weight: 411.48 g/mol
• Exact Mass: 411.21
• IUPAC Name: N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: Cc1cc(-c2noc(CCC(=O)Nc3cc(CC4CCCCC4)[nH]n3)n2)ccc1F
• InChI: InChI=1S/C22H26FN5O2/c1-14-11-16(7-8-18(14)23)22-25-21(30-28-22)10-9-20(29)24-19-13-17(26-27-19)12-15-5-3-2-4-6-15/h7-8,11,13,15H,2-6,9-10,12H2,1H3,(H2,24,26,27,29)
• InChIKey: YMDOFBQWINZVTM-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.48
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 56553250) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1cc(-c2noc(CCC(=O)Nc3cc(CC4CCCCC4)[nH]n3)n2)ccc1F.

What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is YMDOFBQWINZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-14-11-16(7-8-18(14)23)22-25-21(30-28-22)10-9-20(29)24-19-13-17(26-27-19)12-15-5-3-2-4-6-15/h7-8,11,13,15H,2-6,9-10,12H2,1H3,(H2,24,26,27,29).

What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 411.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 56553250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).