N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide

C19H17N3O5 — CID 139362343

About N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide

N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide (PubChem CID 139362343) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide
• PubChem CID: 139362343
• Molecular Formula: C19H17N3O5
• Molecular Weight: 367.36 g/mol
• Exact Mass: 367.12
• IUPAC Name: N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide
• SMILES: O=C(NC[C@@H]1COc2ccc(OCc3cccnc3)cc2O1)c1ncco1
• InChI: InChI=1S/C19H17N3O5/c23-18(19-21-6-7-24-19)22-10-15-12-26-16-4-3-14(8-17(16)27-15)25-11-13-2-1-5-20-9-13/h1-9,15H,10-12H2,(H,22,23)/t15-/m1/s1
• InChIKey: XEDGWUSUIGJESH-OAHLLOKOSA-N
• XLogP: 2.22
• TPSA: 95.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.36
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide?

The IUPAC name of N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide (CID 139362343) is N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide.

What is the SMILES notation for N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide?

The canonical SMILES for N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide is O=C(NC[C@@H]1COc2ccc(OCc3cccnc3)cc2O1)c1ncco1.

What is the InChIKey of N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide?

The InChIKey is XEDGWUSUIGJESH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17N3O5/c23-18(19-21-6-7-24-19)22-10-15-12-26-16-4-3-14(8-17(16)27-15)25-11-13-2-1-5-20-9-13/h1-9,15H,10-12H2,(H,22,23)/t15-/m1/s1.

What are the key properties of N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide?

N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 139362343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).