methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate

C26H27N3O6 — CID 23627071

About methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate

methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate (PubChem CID 23627071) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate.

Molecular Properties

• Compound Name: methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate
• PubChem CID: 23627071
• Molecular Formula: C26H27N3O6
• Molecular Weight: 477.52 g/mol
• Exact Mass: 477.19
• IUPAC Name: methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate
• SMILES: COC(=O)c1cc(/C(=C\CCc2nnc(C)o2)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC
• InChI: InChI=1S/C26H27N3O6/c1-14-10-18(13-21(23(14)31-4)26(30)33-6)19(8-7-9-22-28-27-16(3)34-22)17-11-15(2)24-20(12-17)25(32-5)29-35-24/h8,10-13H,7,9H2,1-6H3/b19-8-
• InChIKey: AVOMAPFEIISYBY-UWVJOHFNSA-N
• XLogP: 5.00
• TPSA: 109.71 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.52
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate?

The IUPAC name of methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate (CID 23627071) is methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate.

What is the SMILES notation for methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate?

The canonical SMILES for methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate is COC(=O)c1cc(/C(=C\CCc2nnc(C)o2)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC.

What is the InChIKey of methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate?

The InChIKey is AVOMAPFEIISYBY-UWVJOHFNSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-14-10-18(13-21(23(14)31-4)26(30)33-6)19(8-7-9-22-28-27-16(3)34-22)17-11-15(2)24-20(12-17)25(32-5)29-35-24/h8,10-13H,7,9H2,1-6H3/b19-8-.

What are the key properties of methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate?

methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate has a molecular weight of 477.52 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-methoxy-5-[(Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzoate is sourced from PubChem (CID 23627071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).