2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole

C80H75N7O7 — CID 157050110

About 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole

2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole (PubChem CID 157050110) has the molecular formula C80H75N7O7 and a molecular weight of 1246.52 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole
• PubChem CID: 157050110
• Molecular Formula: C80H75N7O7
• Molecular Weight: 1246.52 g/mol
• Exact Mass: 1245.57
• IUPAC Name: 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole
• SMILES: C/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.C/C=C/c1nc2ccccc2o1.C/C=C/c1ncc(-c2ccccc2)o1.Cc1cc2ccccc2o1.Cc1nc2ccccc2o1.Cc1ncc(-c2ccccc2)o1.Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1
• InChI: InChI=1S/C18H15NO.C13H16N2O.C12H11NO.2C10H9NO.C9H8O.C8H7NO/c1-2-6-14-9-11-16(12-10-14)18-19-13-17(20-18)15-7-4-3-5-8-15;1-9-14-15-12(16-9)10-5-7-11(8-6-10)13(2,3)4;1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-2-5-10-11-8-6-3-4-7-9(8)12-10;1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6/h2-13H,1H3;5-8H,1-4H3;2-9H,1H3;2*2-7H,1H3;2-6H,1H3;2-5H,1H3/b6-2+;;6-2+;;5-2+
• InChIKey: AACGBBJAWISBGI-FWVWLAMISA-N
• XLogP: 22.15
• TPSA: 182.21 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.52
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole?

The IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole (CID 157050110) is 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole.

What is the SMILES notation for 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole?

The canonical SMILES for 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole is C/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.C/C=C/c1nc2ccccc2o1.C/C=C/c1ncc(-c2ccccc2)o1.Cc1cc2ccccc2o1.Cc1nc2ccccc2o1.Cc1ncc(-c2ccccc2)o1.Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1.

What is the InChIKey of 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole?

The InChIKey is AACGBBJAWISBGI-FWVWLAMISA-N. The full InChI is InChI=1S/C18H15NO.C13H16N2O.C12H11NO.2C10H9NO.C9H8O.C8H7NO/c1-2-6-14-9-11-16(12-10-14)18-19-13-17(20-18)15-7-4-3-5-8-15;1-9-14-15-12(16-9)10-5-7-11(8-6-10)13(2,3)4;1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-2-5-10-11-8-6-3-4-7-9(8)12-10;1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6/h2-13H,1H3;5-8H,1-4H3;2-9H,1H3;2*2-7H,1H3;2-6H,1H3;2-5H,1H3/b6-2+;;6-2+;;5-2+;;.

What are the key properties of 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole?

2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole has a molecular weight of 1246.52 g/mol, XLogP of 22.15, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole is sourced from PubChem (CID 157050110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).