3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one

C75H84N10O9 — CID 164977245

About 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one

3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 164977245) has the molecular formula C75H84N10O9 and a molecular weight of 1269.56 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;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-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;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one
• PubChem CID: 164977245
• Molecular Formula: C75H84N10O9
• Molecular Weight: 1269.56 g/mol
• Exact Mass: 1268.64
• 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;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one
• SMILES: C.Cc1ccc2c(=O)[nH]n(C)c2c1.Cc1ccc2c(c1)C(=O)NCC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CNC(=O)N2.Cc1ccc2c(c1)N(C)C(=O)NC2.Cc1ccc2c(c1)NCC2=O.Cc1ccc2c(c1)OC(=O)C2.Cc1ccc2oc(=O)n(C)c2c1
• InChI: InChI=1S/C10H12N2O.C10H11NO.2C9H10N2O.C9H9NO2.C9H9NO.C9H11N.C9H8O2.CH4/c1-7-3-4-8-6-11-10(13)12(2)9(8)5-7;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;1-6-2-3-8-7(4-6)5-10-9(12)11-8;1-6-3-4-8-7(5-6)10(2)9(11)12-8;1-6-2-3-7-8(4-6)10-5-9(7)11;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-7-5-9(10)11-8(7)4-6;/h3-5H,6H2,1-2H3,(H,11,13);2-3,6H,4-5H2,1H3,(H,11,12);3-5H,1-2H3,(H,10,12);2-4H,5H2,1H3,(H2,10,11,12);3-5H,1-2H3;2-4,10H,5H2,1H3;2-3,6,10H,4-5H2,1H3;2-4H,5H2,1H3;1H4
• InChIKey: DYPXWFXWVGXTNV-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 242.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1269.56
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

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;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-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;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one (CID 164977245) is 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-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;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-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;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one is C.Cc1ccc2c(=O)[nH]n(C)c2c1.Cc1ccc2c(c1)C(=O)NCC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CNC(=O)N2.Cc1ccc2c(c1)N(C)C(=O)NC2.Cc1ccc2c(c1)NCC2=O.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;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one?

The InChIKey is DYPXWFXWVGXTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C10H11NO.2C9H10N2O.C9H9NO2.C9H9NO.C9H11N.C9H8O2.CH4/c1-7-3-4-8-6-11-10(13)12(2)9(8)5-7;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;1-6-2-3-8-7(4-6)5-10-9(12)11-8;1-6-3-4-8-7(5-6)10(2)9(11)12-8;1-6-2-3-7-8(4-6)10-5-9(7)11;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-7-5-9(10)11-8(7)4-6;/h3-5H,6H2,1-2H3,(H,11,13);2-3,6H,4-5H2,1H3,(H,11,12);3-5H,1-2H3,(H,10,12);2-4H,5H2,1H3,(H2,10,11,12);3-5H,1-2H3;2-4,10H,5H2,1H3;2-3,6,10H,4-5H2,1H3;2-4H,5H2,1H3;1H4.

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;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one?

3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 1269.56 g/mol, XLogP of 12.84, 0 rotatable bonds, 7 hydrogen bond donors, and 13 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;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 164977245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).