N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine

C65H58N10O4 — CID 155331793

About N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine

N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine (PubChem CID 155331793) has the molecular formula C65H58N10O4 and a molecular weight of 1043.24 g/mol. Its IUPAC name is N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine.

Molecular Properties

• Compound Name: N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine
• PubChem CID: 155331793
• Molecular Formula: C65H58N10O4
• Molecular Weight: 1043.24 g/mol
• Exact Mass: 1042.46
• IUPAC Name: N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine
• SMILES: Cc1cc2c(C)noc2cc1N(C)c1ccc(-n2cnc(Cc3ccc(-c4c(C)noc4C)cc3N(C)c3ccc(-c4ccc(-c5cc(-c6c(C)noc6C)cc(N(C)c6ccc(-c7cnco7)cc6)c5C)nc4)cc3)c2)cc1
• InChI: InChI=1S/C65H58N10O4/c1-38-27-57-40(3)69-79-62(57)32-59(38)72(8)54-22-24-55(25-23-54)75-35-51(68-36-75)28-47-11-12-48(64-41(4)70-77-43(64)6)30-61(47)74(10)53-18-13-45(14-19-53)49-17-26-58(67-33-49)56-29-50(65-42(5)71-78-44(65)7)31-60(39(56)2)73(9)52-20-15-46(16-21-52)63-34-66-37-76-63/h11-27,29-37H,28H2,1-10H3
• InChIKey: WKGXQCBVZLIZTR-UHFFFAOYSA-N
• XLogP: 15.76
• TPSA: 144.55 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.24
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine?

The IUPAC name of N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine (CID 155331793) is N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine.

What is the SMILES notation for N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine?

The canonical SMILES for N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine is Cc1cc2c(C)noc2cc1N(C)c1ccc(-n2cnc(Cc3ccc(-c4c(C)noc4C)cc3N(C)c3ccc(-c4ccc(-c5cc(-c6c(C)noc6C)cc(N(C)c6ccc(-c7cnco7)cc6)c5C)nc4)cc3)c2)cc1.

What is the InChIKey of N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine?

The InChIKey is WKGXQCBVZLIZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H58N10O4/c1-38-27-57-40(3)69-79-62(57)32-59(38)72(8)54-22-24-55(25-23-54)75-35-51(68-36-75)28-47-11-12-48(64-41(4)70-77-43(64)6)30-61(47)74(10)53-18-13-45(14-19-53)49-17-26-58(67-33-49)56-29-50(65-42(5)71-78-44(65)7)31-60(39(56)2)73(9)52-20-15-46(16-21-52)63-34-66-37-76-63/h11-27,29-37H,28H2,1-10H3.

What are the key properties of N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine?

N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine has a molecular weight of 1043.24 g/mol, XLogP of 15.76, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-[6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-[N-methyl-4-(1,3-oxazol-5-yl)anilino]phenyl]-3-pyridinyl]-N-methylanilino]phenyl]methyl]imidazol-1-yl]phenyl]-N,3,5-trimethyl-1,2-benzoxazol-6-amine is sourced from PubChem (CID 155331793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).