2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide

C17H16N4O3 — CID 139412864

About 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide

2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide (PubChem CID 139412864) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide
• PubChem CID: 139412864
• Molecular Formula: C17H16N4O3
• Molecular Weight: 324.34 g/mol
• Exact Mass: 324.12
• IUPAC Name: 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide
• SMILES: Cc1cc(-c2ccc3c(c2)OC[C@H]3NC(=O)c2ccnn2C)no1
• InChI: InChI=1S/C17H16N4O3/c1-10-7-13(20-24-10)11-3-4-12-14(9-23-16(12)8-11)19-17(22)15-5-6-18-21(15)2/h3-8,14H,9H2,1-2H3,(H,19,22)/t14-/m1/s1
• InChIKey: FAMYHQGZJHBMNR-CQSZACIVSA-N
• XLogP: 2.25
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.34
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide?

The IUPAC name of 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide (CID 139412864) is 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide?

The canonical SMILES for 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide is Cc1cc(-c2ccc3c(c2)OC[C@H]3NC(=O)c2ccnn2C)no1.

What is the InChIKey of 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide?

The InChIKey is FAMYHQGZJHBMNR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-7-13(20-24-10)11-3-4-12-14(9-23-16(12)8-11)19-17(22)15-5-6-18-21(15)2/h3-8,14H,9H2,1-2H3,(H,19,22)/t14-/m1/s1.

What are the key properties of 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide?

2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 139412864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).