5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

C20H23N5O2 — CID 31017135

About 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 31017135) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 31017135
• Molecular Formula: C20H23N5O2
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.19
• IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(CN(C)C(=O)c2cc(CN3CCc4ccccc4C3)on2)n[nH]1
• InChI: InChI=1S/C20H23N5O2/c1-14-9-17(22-21-14)12-24(2)20(26)19-10-18(27-23-19)13-25-8-7-15-5-3-4-6-16(15)11-25/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,21,22)
• InChIKey: ZRUAWOIPUZLHAC-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 78.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 31017135) is 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(CN(C)C(=O)c2cc(CN3CCc4ccccc4C3)on2)n[nH]1.

What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is ZRUAWOIPUZLHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-9-17(22-21-14)12-24(2)20(26)19-10-18(27-23-19)13-25-8-7-15-5-3-4-6-16(15)11-25/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,21,22).

What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?

5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 31017135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).