3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one

C91H100N12O13 — CID 161302203

About 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one

3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 161302203) has the molecular formula C91H100N12O13 and a molecular weight of 1569.87 g/mol. Its IUPAC name is 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one
• PubChem CID: 161302203
• Molecular Formula: C91H100N12O13
• Molecular Weight: 1569.87 g/mol
• Exact Mass: 1568.75
• IUPAC Name: 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one
• SMILES: C=C1CC(Cc2ccc(C)cc2OCC)=NO1.C=C1N=C(c2ccc(C)cc2OCC)NO1.Cc1ccc2c(=O)[nH][nH]c2c1.Cc1ccc2c(=O)[nH]n(C)c2c1.Cc1ccc2c(c1)C(=O)NCC2.Cc1ccc2c(c1)CNC(=O)C2.Cc1ccc2c(c1)N(C)C(=O)NC2.Cc1ccc2c(c1)OC(=O)C2.Cc1ccc2oc(=O)n(C)c2c1
• InChI: InChI=1S/C14H17NO2.C12H14N2O2.C10H12N2O.2C10H11NO.C9H10N2O.C9H9NO2.C9H8O2.C8H8N2O/c1-4-16-14-7-10(2)5-6-12(14)9-13-8-11(3)17-15-13;1-4-15-11-7-8(2)5-6-10(11)12-13-9(3)16-14-12;1-7-3-4-8-6-11-10(13)12(2)9(8)5-7;1-7-2-3-8-5-10(12)11-6-9(8)4-7;1-7-2-3-8-4-5-11-10(12)9(8)6-7;1-6-3-4-7-8(5-6)11(2)10-9(7)12;1-6-3-4-8-7(5-6)10(2)9(11)12-8;1-6-2-3-7-5-9(10)11-8(7)4-6;1-5-2-3-6-7(4-5)9-10-8(6)11/h5-7H,3-4,8-9H2,1-2H3;5-7H,3-4H2,1-2H3,(H,13,14);3-5H,6H2,1-2H3,(H,11,13);2-4H,5-6H2,1H3,(H,11,12);2-3,6H,4-5H2,1H3,(H,11,12);3-5H,1-2H3,(H,10,12);3-5H,1-2H3;2-4H,5H2,1H3;2-4H,1H3,(H2,9,10,11)
• InChIKey: VHTRZAINNYMORT-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 312.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1569.87
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one?

The IUPAC name of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one (CID 161302203) is 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one.

What is the SMILES notation for 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one?

The canonical SMILES for 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one is C=C1CC(Cc2ccc(C)cc2OCC)=NO1.C=C1N=C(c2ccc(C)cc2OCC)NO1.Cc1ccc2c(=O)[nH][nH]c2c1.Cc1ccc2c(=O)[nH]n(C)c2c1.Cc1ccc2c(c1)C(=O)NCC2.Cc1ccc2c(c1)CNC(=O)C2.Cc1ccc2c(c1)N(C)C(=O)NC2.Cc1ccc2c(c1)OC(=O)C2.Cc1ccc2oc(=O)n(C)c2c1.

What is the InChIKey of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one?

The InChIKey is VHTRZAINNYMORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.C12H14N2O2.C10H12N2O.2C10H11NO.C9H10N2O.C9H9NO2.C9H8O2.C8H8N2O/c1-4-16-14-7-10(2)5-6-12(14)9-13-8-11(3)17-15-13;1-4-15-11-7-8(2)5-6-10(11)12-13-9(3)16-14-12;1-7-3-4-8-6-11-10(13)12(2)9(8)5-7;1-7-2-3-8-5-10(12)11-6-9(8)4-7;1-7-2-3-8-4-5-11-10(12)9(8)6-7;1-6-3-4-7-8(5-6)11(2)10-9(7)12;1-6-3-4-8-7(5-6)10(2)9(11)12-8;1-6-2-3-7-5-9(10)11-8(7)4-6;1-5-2-3-6-7(4-5)9-10-8(6)11/h5-7H,3-4,8-9H2,1-2H3;5-7H,3-4H2,1-2H3,(H,13,14);3-5H,6H2,1-2H3,(H,11,13);2-4H,5-6H2,1H3,(H,11,12);2-3,6H,4-5H2,1H3,(H,11,12);3-5H,1-2H3,(H,10,12);3-5H,1-2H3;2-4H,5H2,1H3;2-4H,1H3,(H2,9,10,11).

What are the key properties of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one?

3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 1569.87 g/mol, XLogP of 14.71, 7 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;3-(2-ethoxy-4-methylphenyl)-5-methylidene-2H-1,2,4-oxadiazole;3-[(2-ethoxy-4-methylphenyl)methyl]-5-methylidene-4H-1,2-oxazole;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 161302203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).