4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine

C48H47ClN4O5 — CID 161115031

About 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine

4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine (PubChem CID 161115031) has the molecular formula C48H47ClN4O5 and a molecular weight of 795.38 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine.

Molecular Properties

• Compound Name: 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine
• PubChem CID: 161115031
• Molecular Formula: C48H47ClN4O5
• Molecular Weight: 795.38 g/mol
• Exact Mass: 794.32
• IUPAC Name: 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine
• SMILES: CCOc1ccc(C2(c3cccc(-c4cccc(Cl)c4)c3)COC(N)=N2)cc1C.COc1cccc(-c2cccc(C3(c4ccc(OC)c(C)c4)COC(N)=N3)c2)c1
• InChI: InChI=1S/C24H23ClN2O2.C24H24N2O3/c1-3-28-22-11-10-20(12-16(22)2)24(15-29-23(26)27-24)19-8-4-6-17(13-19)18-7-5-9-21(25)14-18;1-16-12-20(10-11-22(16)28-3)24(15-29-23(25)26-24)19-8-4-6-17(13-19)18-7-5-9-21(14-18)27-2/h4-14H,3,15H2,1-2H3,(H2,26,27);4-14H,15H2,1-3H3,(H2,25,26)
• InChIKey: UKEXVCTXTBDGMY-UHFFFAOYSA-N
• XLogP: 9.57
• TPSA: 122.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.38
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine?

The IUPAC name of 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine (CID 161115031) is 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine.

What is the SMILES notation for 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine?

The canonical SMILES for 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine is CCOc1ccc(C2(c3cccc(-c4cccc(Cl)c4)c3)COC(N)=N2)cc1C.COc1cccc(-c2cccc(C3(c4ccc(OC)c(C)c4)COC(N)=N3)c2)c1.

What is the InChIKey of 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine?

The InChIKey is UKEXVCTXTBDGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2.C24H24N2O3/c1-3-28-22-11-10-20(12-16(22)2)24(15-29-23(26)27-24)19-8-4-6-17(13-19)18-7-5-9-21(25)14-18;1-16-12-20(10-11-22(16)28-3)24(15-29-23(25)26-24)19-8-4-6-17(13-19)18-7-5-9-21(14-18)27-2/h4-14H,3,15H2,1-2H3,(H2,26,27);4-14H,15H2,1-3H3,(H2,25,26).

What are the key properties of 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine?

4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine has a molecular weight of 795.38 g/mol, XLogP of 9.57, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 161115031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).