N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline

C30H26N4O5 — CID 142762880

About N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline

N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline (PubChem CID 142762880) has the molecular formula C30H26N4O5 and a molecular weight of 522.56 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline.

Molecular Properties

• Compound Name: N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
• PubChem CID: 142762880
• Molecular Formula: C30H26N4O5
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.19
• IUPAC Name: N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
• SMILES: c1cc(CNc2ccc(-c3cc(COCc4cc(-c5ccc(NCc6ccoc6)cc5)no4)on3)cc2)co1
• InChI: InChI=1S/C30H26N4O5/c1-5-25(31-15-21-9-11-35-17-21)6-2-23(1)29-13-27(38-33-29)19-37-20-28-14-30(34-39-28)24-3-7-26(8-4-24)32-16-22-10-12-36-18-22/h1-14,17-18,31-32H,15-16,19-20H2
• InChIKey: KOSCAQBBYXVBLP-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 111.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?

The IUPAC name of N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline (CID 142762880) is N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline.

What is the SMILES notation for N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?

The canonical SMILES for N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline is c1cc(CNc2ccc(-c3cc(COCc4cc(-c5ccc(NCc6ccoc6)cc5)no4)on3)cc2)co1.

What is the InChIKey of N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?

The InChIKey is KOSCAQBBYXVBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O5/c1-5-25(31-15-21-9-11-35-17-21)6-2-23(1)29-13-27(38-33-29)19-37-20-28-14-30(34-39-28)24-3-7-26(8-4-24)32-16-22-10-12-36-18-22/h1-14,17-18,31-32H,15-16,19-20H2.

What are the key properties of N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?

N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline has a molecular weight of 522.56 g/mol, XLogP of 7.12, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-3-ylmethyl)-4-[5-[[3-[4-(furan-3-ylmethylamino)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline is sourced from PubChem (CID 142762880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).