N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline

C46H38N4O5 — CID 142762897

IUPACN-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
SMILESc1ccc(Oc2ccc(CNc3ccc(-c4cc(COCc5cc(-c6ccc(NCc7ccc(Oc8ccccc8)cc7)cc6)no5)on4)cc3)cc2)cc1
InChIInChI=1S/C46H38N4O5/c1-3-7-39(8-4-1)52-41-23-11-33(12-24-41)29-47-37-19-15-35(16-20-37)45-27-43(54-49-45)31-51-32-44-28-46(50-55-44)36-17-21-38(22-18-36)48-30-34-13-25-42(26-14-34)53-40-9-5-2-6-10-40/h1-28,47-48H,29-32H2
InChIKeyIERJNABZQIOUNX-UHFFFAOYSA-N
MW726.83 g/mol
LogP11.52
Rot. Bonds16

About N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline

N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline (PubChem CID 142762897) has the molecular formula C46H38N4O5 and a molecular weight of 726.83 g/mol. Its IUPAC name is N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline.

Molecular Properties

Compound NameN-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
PubChem CID142762897
Molecular FormulaC46H38N4O5
Molecular Weight726.83 g/mol
Exact Mass726.28
IUPAC NameN-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
SMILESc1ccc(Oc2ccc(CNc3ccc(-c4cc(COCc5cc(-c6ccc(NCc7ccc(Oc8ccccc8)cc7)cc6)no5)on4)cc3)cc2)cc1
InChIInChI=1S/C46H38N4O5/c1-3-7-39(8-4-1)52-41-23-11-33(12-24-41)29-47-37-19-15-35(16-20-37)45-27-43(54-49-45)31-51-32-44-28-46(50-55-44)36-17-21-38(22-18-36)48-30-34-13-25-42(26-14-34)53-40-9-5-2-6-10-40/h1-28,47-48H,29-32H2
InChIKeyIERJNABZQIOUNX-UHFFFAOYSA-N
XLogP11.52
TPSA103.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.83
LogP ≤ 511.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
CID 142762944
N-[(2,6-difluorophenyl)methyl]-4-[5-[[3-[4-[(2,6-difluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
CID 142762959
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762879
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
CID 54796711

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?
The IUPAC name of N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline (CID 142762897) is N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline.
What is the SMILES notation for N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?
The canonical SMILES for N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline is c1ccc(Oc2ccc(CNc3ccc(-c4cc(COCc5cc(-c6ccc(NCc7ccc(Oc8ccccc8)cc7)cc6)no5)on4)cc3)cc2)cc1.
What is the InChIKey of N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?
The InChIKey is IERJNABZQIOUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N4O5/c1-3-7-39(8-4-1)52-41-23-11-33(12-24-41)29-47-37-19-15-35(16-20-37)45-27-43(54-49-45)31-51-32-44-28-46(50-55-44)36-17-21-38(22-18-36)48-30-34-13-25-42(26-14-34)53-40-9-5-2-6-10-40/h1-28,47-48H,29-32H2.
What are the key properties of N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?
N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline has a molecular weight of 726.83 g/mol, XLogP of 11.52, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline is sourced from PubChem (CID 142762897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).