5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide

C18H20N4O3 — CID 94809649

About 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide

5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide (PubChem CID 94809649) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 94809649
• Molecular Formula: C18H20N4O3
• Molecular Weight: 340.38 g/mol
• Exact Mass: 340.15
• IUPAC Name: 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccccc1-c1cc(C(=O)NC[C@H](C)Cn2cccn2)no1
• InChI: InChI=1S/C18H20N4O3/c1-13(12-22-9-5-8-20-22)11-19-18(23)15-10-17(25-21-15)14-6-3-4-7-16(14)24-2/h3-10,13H,11-12H2,1-2H3,(H,19,23)/t13-/m0/s1
• InChIKey: OTMSJQCLXAEBFF-ZDUSSCGKSA-N
• XLogP: 2.61
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.38
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide (CID 94809649) is 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)NC[C@H](C)Cn2cccn2)no1.

What is the InChIKey of 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide?

The InChIKey is OTMSJQCLXAEBFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(12-22-9-5-8-20-22)11-19-18(23)15-10-17(25-21-15)14-6-3-4-7-16(14)24-2/h3-10,13H,11-12H2,1-2H3,(H,19,23)/t13-/m0/s1.

What are the key properties of 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide?

5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94809649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).