7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole

C125H162N10O13 — CID 161390909

About 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole

7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole (PubChem CID 161390909) has the molecular formula C125H162N10O13 and a molecular weight of 2012.73 g/mol. Its IUPAC name is 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole.

Molecular Properties

• Compound Name: 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole
• PubChem CID: 161390909
• Molecular Formula: C125H162N10O13
• Molecular Weight: 2012.73 g/mol
• Exact Mass: 2011.23
• IUPAC Name: 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole
• SMILES: C=C1Nc2c(cccc2C(C)(C)C)O1.C=C1Nc2cc(C(C)(C)C)ccc2O1.C=C1Nc2ccc(C(C)(C)C)cc2O1.C=C1Oc2cccc(C(C)(C)C)c2N1C.CC(C)(C)c1cccc2[nH]c(=O)oc12.CC(C)(C)c1cccc2c1OCCN2.CN1C(=O)CCc2cc(C(C)(C)C)ccc21.CN1C(=O)CCc2ccc(C(C)(C)C)cc21.CN1C(=O)COc2c1cccc2C(C)(C)C.Cn1c(=O)oc2c(C(C)(C)C)cccc21
• InChI: InChI=1S/2C14H19NO.C13H17NO2.C13H17NO.C12H15NO2.3C12H15NO.C12H17NO.C11H13NO2/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;1-14(2,3)11-7-5-10-6-8-13(16)15(4)12(10)9-11;1-13(2,3)9-6-5-7-10-12(9)16-8-11(15)14(10)4;1-9-14(5)12-10(13(2,3)4)7-6-8-11(12)15-9;1-12(2,3)8-6-5-7-9-10(8)15-11(14)13(9)4;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-8-13-11-9(12(2,3)4)6-5-7-10(11)14-8;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-11(2,3)7-5-4-6-8-9(7)14-10(13)12-8/h6-7,9H,5,8H2,1-4H3;5,7,9H,6,8H2,1-4H3;5-7H,8H2,1-4H3;6-8H,1H2,2-5H3;5-7H,1-4H3;3*5-7,13H,1H2,2-4H3;4-6,13H,7-8H2,1-3H3;4-6H,1-3H3,(H,12,13)
• InChIKey: VSYXIXUAWXCEIA-UHFFFAOYSA-N
• XLogP: 28.82
• TPSA: 248.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2012.73
LogP ≤ 5	28.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole?

The IUPAC name of 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole (CID 161390909) is 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole.

What is the SMILES notation for 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole?

The canonical SMILES for 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole is C=C1Nc2c(cccc2C(C)(C)C)O1.C=C1Nc2cc(C(C)(C)C)ccc2O1.C=C1Nc2ccc(C(C)(C)C)cc2O1.C=C1Oc2cccc(C(C)(C)C)c2N1C.CC(C)(C)c1cccc2[nH]c(=O)oc12.CC(C)(C)c1cccc2c1OCCN2.CN1C(=O)CCc2cc(C(C)(C)C)ccc21.CN1C(=O)CCc2ccc(C(C)(C)C)cc21.CN1C(=O)COc2c1cccc2C(C)(C)C.Cn1c(=O)oc2c(C(C)(C)C)cccc21.

What is the InChIKey of 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole?

The InChIKey is VSYXIXUAWXCEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H19NO.C13H17NO2.C13H17NO.C12H15NO2.3C12H15NO.C12H17NO.C11H13NO2/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;1-14(2,3)11-7-5-10-6-8-13(16)15(4)12(10)9-11;1-13(2,3)9-6-5-7-10-12(9)16-8-11(15)14(10)4;1-9-14(5)12-10(13(2,3)4)7-6-8-11(12)15-9;1-12(2,3)8-6-5-7-9-10(8)15-11(14)13(9)4;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-8-13-11-9(12(2,3)4)6-5-7-10(11)14-8;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-11(2,3)7-5-4-6-8-9(7)14-10(13)12-8/h6-7,9H,5,8H2,1-4H3;5,7,9H,6,8H2,1-4H3;5-7H,8H2,1-4H3;6-8H,1H2,2-5H3;5-7H,1-4H3;3*5-7,13H,1H2,2-4H3;4-6,13H,7-8H2,1-3H3;4-6H,1-3H3,(H,12,13).

What are the key properties of 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole?

7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole has a molecular weight of 2012.73 g/mol, XLogP of 28.82, 0 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole is sourced from PubChem (CID 161390909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).