2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene

C147H138N8O7 — CID 160820687

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

2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene (PubChem CID 160820687) has the molecular formula C147H138N8O7 and a molecular weight of 2128.77 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;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene
• PubChem CID: 160820687
• Molecular Formula: C147H138N8O7
• Molecular Weight: 2128.77 g/mol
• Exact Mass: 2127.07
• IUPAC Name: 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene
• SMILES: C/C=C/c1ccc(-c2ccccc2)cc1.C/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.C/C=C/c1nc2ccccc2o1.C/C=C/c1ncc(-c2ccccc2)o1.CN(c1ccccc1)c1ccccc1.Cc1cc2ccccc2o1.Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1.Cc1nc2ccccc2o1.Cc1ncc(-c2ccccc2)o1.Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1
• InChI: InChI=1S/C19H16.C18H15NO.C15H14.C13H16N2O.C13H13N.C13H12.C12H11NO.2C10H9NO.C9H8O.C8H7NO.C7H8/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-2-6-14-9-11-16(12-10-14)18-19-13-17(20-18)15-7-4-3-5-8-15;1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-9-14-15-12(16-9)10-5-7-11(8-6-10)13(2,3)4;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;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;1-7-5-3-2-4-6-7/h2-14H,1H3;2-13H,1H3;2-12H,1H3;5-8H,1-4H3;2-11H,1H3;2-10H,1H3;2-9H,1H3;2*2-7H,1H3;2-6H,1H3;2-5H,1H3;2-6H,1H3/b;2*6-2+;;;;6-2+;;5-2+
• InChIKey: SFMUWFGDMWQTMR-UOFOEXQISA-N
• XLogP: 40.97
• TPSA: 185.45 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2128.77
LogP ≤ 5	40.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene?

The IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene (CID 160820687) is 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene.

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;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene?

The canonical SMILES for 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene is C/C=C/c1ccc(-c2ccccc2)cc1.C/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.C/C=C/c1nc2ccccc2o1.C/C=C/c1ncc(-c2ccccc2)o1.CN(c1ccccc1)c1ccccc1.Cc1cc2ccccc2o1.Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1.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;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene?

The InChIKey is SFMUWFGDMWQTMR-UOFOEXQISA-N. The full InChI is InChI=1S/C19H16.C18H15NO.C15H14.C13H16N2O.C13H13N.C13H12.C12H11NO.2C10H9NO.C9H8O.C8H7NO.C7H8/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-2-6-14-9-11-16(12-10-14)18-19-13-17(20-18)15-7-4-3-5-8-15;1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-9-14-15-12(16-9)10-5-7-11(8-6-10)13(2,3)4;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;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;1-7-5-3-2-4-6-7/h2-14H,1H3;2-13H,1H3;2-12H,1H3;5-8H,1-4H3;2-11H,1H3;2-10H,1H3;2-9H,1H3;2*2-7H,1H3;2-6H,1H3;2-5H,1H3;2-6H,1H3/b;2*6-2+;;;;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;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene?

2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene has a molecular weight of 2128.77 g/mol, XLogP of 40.97, 15 rotatable bonds, 0 hydrogen bond donors, and 15 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;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;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;toluene is sourced from PubChem (CID 160820687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).