N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

C25H21N5O2 — CID 53030152

About N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 53030152) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

• Compound Name: N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
• PubChem CID: 53030152
• Molecular Formula: C25H21N5O2
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.17
• IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
• SMILES: COc1ccc(C)cc1Nc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc12
• InChI: InChI=1S/C25H21N5O2/c1-15-7-6-8-17(13-15)24-29-30-25(32-24)23-26-19-10-5-4-9-18(19)22(28-23)27-20-14-16(2)11-12-21(20)31-3/h4-14H,1-3H3,(H,26,27,28)
• InChIKey: AQZWCSJNUYUTQS-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 85.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?

The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 53030152) is N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?

The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is COc1ccc(C)cc1Nc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc12.

What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?

The InChIKey is AQZWCSJNUYUTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-15-7-6-8-17(13-15)24-29-30-25(32-24)23-26-19-10-5-4-9-18(19)22(28-23)27-20-14-16(2)11-12-21(20)31-3/h4-14H,1-3H3,(H,26,27,28).

What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?

N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine has a molecular weight of 423.48 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 53030152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).