N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

C27H28N4O3 — CID 108798140

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 108798140) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 108798140
• Molecular Formula: C27H28N4O3
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.22
• IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: Cc1cc(C)nc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(C(C)C)cc4)o3)cc2)n1
• InChI: InChI=1S/C27H28N4O3/c1-17(2)20-5-7-21(8-6-20)24-16-28-26(34-24)14-13-25(32)31-22-9-11-23(12-10-22)33-27-29-18(3)15-19(4)30-27/h5-12,15-17H,13-14H2,1-4H3,(H,31,32)
• InChIKey: VWAZNANVKHBLBO-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (CID 108798140) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1cc(C)nc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(C(C)C)cc4)o3)cc2)n1.

What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is VWAZNANVKHBLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-17(2)20-5-7-21(8-6-20)24-16-28-26(34-24)14-13-25(32)31-22-9-11-23(12-10-22)33-27-29-18(3)15-19(4)30-27/h5-12,15-17H,13-14H2,1-4H3,(H,31,32).

What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 456.55 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 108798140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).