5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide

C23H29N5O2 — CID 46957710

About 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide

5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 46957710) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 46957710
• Molecular Formula: C23H29N5O2
• Molecular Weight: 407.52 g/mol
• Exact Mass: 407.23
• IUPAC Name: 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1c(-c2cc(C(=O)NCC(c3ccccc3)N3CCC(C)CC3)no2)cnn1C
• InChI: InChI=1S/C23H29N5O2/c1-16-9-11-28(12-10-16)21(18-7-5-4-6-8-18)15-24-23(29)20-13-22(30-26-20)19-14-25-27(3)17(19)2/h4-8,13-14,16,21H,9-12,15H2,1-3H3,(H,24,29)
• InChIKey: SQKGJTBDGNNYHP-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.52
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide (CID 46957710) is 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide is Cc1c(-c2cc(C(=O)NCC(c3ccccc3)N3CCC(C)CC3)no2)cnn1C.

What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is SQKGJTBDGNNYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-9-11-28(12-10-16)21(18-7-5-4-6-8-18)15-24-23(29)20-13-22(30-26-20)19-14-25-27(3)17(19)2/h4-8,13-14,16,21H,9-12,15H2,1-3H3,(H,24,29).

What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide?

5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46957710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).