N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide

C24H24N2O5 — CID 26383518

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (PubChem CID 26383518) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
• PubChem CID: 26383518
• Molecular Formula: C24H24N2O5
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.17
• IUPAC Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
• SMILES: COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1OCc1c(C)noc1C
• InChI: InChI=1S/C24H24N2O5/c1-14-19(16(3)31-26-14)13-29-21-10-9-18(12-23(21)28-4)24(27)25-15(2)22-11-17-7-5-6-8-20(17)30-22/h5-12,15H,13H2,1-4H3,(H,25,27)/t15-/m1/s1
• InChIKey: RJXJWTVWBPJDGB-OAHLLOKOSA-N
• XLogP: 5.12
• TPSA: 86.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?

The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (CID 26383518) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.

What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?

The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1OCc1c(C)noc1C.

What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?

The InChIKey is RJXJWTVWBPJDGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14-19(16(3)31-26-14)13-29-21-10-9-18(12-23(21)28-4)24(27)25-15(2)22-11-17-7-5-6-8-20(17)30-22/h5-12,15H,13H2,1-4H3,(H,25,27)/t15-/m1/s1.

What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide has a molecular weight of 420.47 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 26383518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).