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

C59H54N6O6 — CID 161396824

IUPAC2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole
SMILESC/C=C/c1nc2ccccc2o1.C/C=C/c1ncc(-c2ccccc2)o1.Cc1cc2ccccc2o1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1nc2ccccc2o1.Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C12H11NO.C10H10N2O.2C10H9NO.C9H8O.C8H7NO/c1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;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/h2-9H,1H3;3-6H,1-2H3;2*2-7H,1H3;2-6H,1H3;2-5H,1H3/b6-2+;;;5-2+;;
InChIKeyVTSBSDCDUAJDOL-HPRSEVMBSA-N
MW943.12 g/mol
LogP16.12
Rot. Bonds5

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

2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole (PubChem CID 161396824) has the molecular formula C59H54N6O6 and a molecular weight of 943.12 g/mol. Its IUPAC name is 2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole
PubChem CID161396824
Molecular FormulaC59H54N6O6
Molecular Weight943.12 g/mol
Exact Mass942.41
IUPAC Name2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole
SMILESC/C=C/c1nc2ccccc2o1.C/C=C/c1ncc(-c2ccccc2)o1.Cc1cc2ccccc2o1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1nc2ccccc2o1.Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C12H11NO.C10H10N2O.2C10H9NO.C9H8O.C8H7NO/c1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;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/h2-9H,1H3;3-6H,1-2H3;2*2-7H,1H3;2-6H,1H3;2-5H,1H3/b6-2+;;;5-2+;;
InChIKeyVTSBSDCDUAJDOL-HPRSEVMBSA-N
XLogP16.12
TPSA156.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.12
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole with MolForge

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Related Compounds

2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;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 162016321
5-phenyl-2-prop-1-enyl-1,3-oxazole
CID 74062032
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 6437308
2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole
CID 158231798
(E)-but-2-ene;ethane;2-methyl-1-benzofuran
CID 143997020
2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole
CID 22310206
2-methyl-1,3-benzoxazole;prop-1-ene
CID 178101004
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene
CID 157157668
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole?
The IUPAC name of 2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole (CID 161396824) is 2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole?
The canonical SMILES for 2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole is C/C=C/c1nc2ccccc2o1.C/C=C/c1ncc(-c2ccccc2)o1.Cc1cc2ccccc2o1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1nc2ccccc2o1.Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole?
The InChIKey is VTSBSDCDUAJDOL-HPRSEVMBSA-N. The full InChI is InChI=1S/C12H11NO.C10H10N2O.2C10H9NO.C9H8O.C8H7NO/c1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;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/h2-9H,1H3;3-6H,1-2H3;2*2-7H,1H3;2-6H,1H3;2-5H,1H3/b6-2+;;;5-2+;;.
What are the key properties of 2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole?
2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole has a molecular weight of 943.12 g/mol, XLogP of 16.12, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3-oxazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole is sourced from PubChem (CID 161396824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).