3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole

C83H93F3N4O5 — CID 167702930

IUPAC3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole
SMILESCC1=CCc2ccc(C)cc21.Cc1cc2ccc(CC(C)(C)C)cc2o1.Cc1cc2ccccc2o1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)N=CC2.Cc1nc2ccc(CC(C)(C)C)cc2o1.Cc1nc2ccccc2o1.Cc1ncc(CC(C)(C)C(F)(F)F)o1
InChIInChI=1S/C14H18O.C13H17NO.C11H12.C10H10.C9H12F3NO.C9H9N.C9H8O.C8H7NO/c1-10-7-12-6-5-11(8-13(12)15-10)9-14(2,3)4;1-9-14-11-6-5-10(7-12(11)15-9)8-13(2,3)4;1-8-3-5-10-6-4-9(2)11(10)7-8;1-8-5-6-9-3-2-4-10(9)7-8;1-6-13-5-7(14-6)4-8(2,3)9(10,11)12;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6/h5-8H,9H2,1-4H3;5-7H,8H2,1-4H3;3-5,7H,6H2,1-2H3;2,4-7H,3H2,1H3;5H,4H2,1-3H3;2-3,5-6H,4H2,1H3;2-6H,1H3;2-5H,1H3
InChIKeyYRALZYGPXCULIE-UHFFFAOYSA-N
MW1283.67 g/mol
LogP23.82
Rot. Bonds4

About 3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole

3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole (PubChem CID 167702930) has the molecular formula C83H93F3N4O5 and a molecular weight of 1283.67 g/mol. Its IUPAC name is 3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole
PubChem CID167702930
Molecular FormulaC83H93F3N4O5
Molecular Weight1283.67 g/mol
Exact Mass1282.71
IUPAC Name3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole
SMILESCC1=CCc2ccc(C)cc21.Cc1cc2ccc(CC(C)(C)C)cc2o1.Cc1cc2ccccc2o1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)N=CC2.Cc1nc2ccc(CC(C)(C)C)cc2o1.Cc1nc2ccccc2o1.Cc1ncc(CC(C)(C)C(F)(F)F)o1
InChIInChI=1S/C14H18O.C13H17NO.C11H12.C10H10.C9H12F3NO.C9H9N.C9H8O.C8H7NO/c1-10-7-12-6-5-11(8-13(12)15-10)9-14(2,3)4;1-9-14-11-6-5-10(7-12(11)15-9)8-13(2,3)4;1-8-3-5-10-6-4-9(2)11(10)7-8;1-8-5-6-9-3-2-4-10(9)7-8;1-6-13-5-7(14-6)4-8(2,3)9(10,11)12;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6/h5-8H,9H2,1-4H3;5-7H,8H2,1-4H3;3-5,7H,6H2,1-2H3;2,4-7H,3H2,1H3;5H,4H2,1-3H3;2-3,5-6H,4H2,1H3;2-6H,1H3;2-5H,1H3
InChIKeyYRALZYGPXCULIE-UHFFFAOYSA-N
XLogP23.82
TPSA116.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.67
LogP ≤ 523.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole with MolForge

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Related Compounds

2-Benzyl-5-(1-methylindol-5-yl)-1,3-benzoxazole
CID 90668306
5-[1,1,1,3,3,3-Hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 18739355
2-Methyl-6-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazole
CID 18739357
2-[(E)-[1-[(2-fluorophenyl)methyl]-1,3-dimethylbenzo[e]indol-2-ylidene]methyl]-3-methylbenzo[g][1,3]benzoxazol-3-ium
CID 57587341
2-[4-[4-[6-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-benzoxazol-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole
CID 57957973
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958484
2-[4-[4-[2-[4-[4-[5,6-Bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole
CID 57958515
2-[4-[4-[6-Pyridin-2-yl-2-[4-[4-[4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]pyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958541
2-[4-[4-[3-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-2-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958577
2-[4-[4-[2-[4-[4-[4,7-Bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-4,7-bis(trifluoromethyl)-1,3-benzoxazole
CID 57958641
5-[2-[4-[4-[6-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-benzoxazol-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-5-yl]-2-methyl-1,3-benzoxazole
CID 57959116
2-[9,10-Dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole
CID 58028242

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole?
The IUPAC name of 3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole (CID 167702930) is 3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole.
What is the SMILES notation for 3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole?
The canonical SMILES for 3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole is CC1=CCc2ccc(C)cc21.Cc1cc2ccc(CC(C)(C)C)cc2o1.Cc1cc2ccccc2o1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)N=CC2.Cc1nc2ccc(CC(C)(C)C)cc2o1.Cc1nc2ccccc2o1.Cc1ncc(CC(C)(C)C(F)(F)F)o1.
What is the InChIKey of 3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole?
The InChIKey is YRALZYGPXCULIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O.C13H17NO.C11H12.C10H10.C9H12F3NO.C9H9N.C9H8O.C8H7NO/c1-10-7-12-6-5-11(8-13(12)15-10)9-14(2,3)4;1-9-14-11-6-5-10(7-12(11)15-9)8-13(2,3)4;1-8-3-5-10-6-4-9(2)11(10)7-8;1-8-5-6-9-3-2-4-10(9)7-8;1-6-13-5-7(14-6)4-8(2,3)9(10,11)12;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6/h5-8H,9H2,1-4H3;5-7H,8H2,1-4H3;3-5,7H,6H2,1-2H3;2,4-7H,3H2,1H3;5H,4H2,1-3H3;2-3,5-6H,4H2,1H3;2-6H,1H3;2-5H,1H3.
What are the key properties of 3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole?
3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole has a molecular weight of 1283.67 g/mol, XLogP of 23.82, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole is sourced from PubChem (CID 167702930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).