[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C25H27N5O4 — CID 124948138

About [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 124948138) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 124948138
• Molecular Formula: C25H27N5O4
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.21
• IUPAC Name: [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc(-c5cn(C)nc5C)no4)C3)o2)c1
• InChI: InChI=1S/C25H27N5O4/c1-16-21(15-29(2)27-16)22-12-23(34-28-22)25(31)30-9-5-7-18(14-30)24-26-13-20(33-24)11-17-6-4-8-19(10-17)32-3/h4,6,8,10,12-13,15,18H,5,7,9,11,14H2,1-3H3/t18-/m0/s1
• InChIKey: CKVMQGTYQYHBIZ-SFHVURJKSA-N
• XLogP: 3.99
• TPSA: 99.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 124948138) is [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc(-c5cn(C)nc5C)no4)C3)o2)c1.

What is the InChIKey of [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is CKVMQGTYQYHBIZ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-16-21(15-29(2)27-16)22-12-23(34-28-22)25(31)30-9-5-7-18(14-30)24-26-13-20(33-24)11-17-6-4-8-19(10-17)32-3/h4,6,8,10,12-13,15,18H,5,7,9,11,14H2,1-3H3/t18-/m0/s1.

What are the key properties of [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 461.52 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124948138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).