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

C16H20N4O2S — CID 131942905

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

N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 131942905) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 131942905
• Molecular Formula: C16H20N4O2S
• Molecular Weight: 332.43 g/mol
• Exact Mass: 332.13
• IUPAC Name: N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: CC(C)C1=NOC(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)C1
• InChI: InChI=1S/C16H20N4O2S/c1-10(2)12-8-14(22-19-12)16(21)20(3)9-11-7-13(18-17-11)15-5-4-6-23-15/h4-7,10,14H,8-9H2,1-3H3,(H,17,18)
• InChIKey: HSEAWRHPUKKXBZ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 70.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.43
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 131942905) is N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

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

The canonical SMILES for N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)C1=NOC(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)C1.

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

The InChIKey is HSEAWRHPUKKXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10(2)12-8-14(22-19-12)16(21)20(3)9-11-7-13(18-17-11)15-5-4-6-23-15/h4-7,10,14H,8-9H2,1-3H3,(H,17,18).

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

N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131942905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).