N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide

C19H23N3O5 — CID 163380170

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380170) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide
• PubChem CID: 163380170
• Molecular Formula: C19H23N3O5
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.16
• IUPAC Name: N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide
• SMILES: Cc1oc2ccc(OCc3ccnn3C)cc2c1C(=O)NC(C)(CO)CO
• InChI: InChI=1S/C19H23N3O5/c1-12-17(18(25)21-19(2,10-23)11-24)15-8-14(4-5-16(15)27-12)26-9-13-6-7-20-22(13)3/h4-8,23-24H,9-11H2,1-3H3,(H,21,25)
• InChIKey: PXKIYWGPMILPDY-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 109.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide?

The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163380170) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide.

What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide?

The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccnn3C)cc2c1C(=O)NC(C)(CO)CO.

What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide?

The InChIKey is PXKIYWGPMILPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12-17(18(25)21-19(2,10-23)11-24)15-8-14(4-5-16(15)27-12)26-9-13-6-7-20-22(13)3/h4-8,23-24H,9-11H2,1-3H3,(H,21,25).

What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide?

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).