1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one

C58H59N3O7S2 — CID 158183597

IUPAC1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2ccccc2[nH]1.CC(C)C(=O)c1cc2ccccc2o1.CC(C)C(=O)c1cc2ccccc2s1.CC(C)C(=O)c1nc2ccccc2o1.CC(C)C(=O)c1nc2ccccc2s1
InChIInChI=1S/C12H13NO.C12H12O2.C12H12OS.C11H11NO2.C11H11NOS/c1-8(2)12(14)11-7-9-5-3-4-6-10(9)13-11;2*1-8(2)12(13)11-7-9-5-3-4-6-10(9)14-11;2*1-7(2)10(13)11-12-8-5-3-4-6-9(8)14-11/h3-8,13H,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3
InChIKeyFYWRPWBEURPHRJ-UHFFFAOYSA-N
MW974.26 g/mol
LogP15.82
Rot. Bonds10

About 1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one

1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one (PubChem CID 158183597) has the molecular formula C58H59N3O7S2 and a molecular weight of 974.26 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one
PubChem CID158183597
Molecular FormulaC58H59N3O7S2
Molecular Weight974.26 g/mol
Exact Mass973.38
IUPAC Name1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2ccccc2[nH]1.CC(C)C(=O)c1cc2ccccc2o1.CC(C)C(=O)c1cc2ccccc2s1.CC(C)C(=O)c1nc2ccccc2o1.CC(C)C(=O)c1nc2ccccc2s1
InChIInChI=1S/C12H13NO.C12H12O2.C12H12OS.C11H11NO2.C11H11NOS/c1-8(2)12(14)11-7-9-5-3-4-6-10(9)13-11;2*1-8(2)12(13)11-7-9-5-3-4-6-10(9)14-11;2*1-7(2)10(13)11-12-8-5-3-4-6-9(8)14-11/h3-8,13H,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3
InChIKeyFYWRPWBEURPHRJ-UHFFFAOYSA-N
XLogP15.82
TPSA153.20 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500974.26
LogP ≤ 515.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one (CID 158183597) is 1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cc2ccccc2[nH]1.CC(C)C(=O)c1cc2ccccc2o1.CC(C)C(=O)c1cc2ccccc2s1.CC(C)C(=O)c1nc2ccccc2o1.CC(C)C(=O)c1nc2ccccc2s1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one?
The InChIKey is FYWRPWBEURPHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C12H12O2.C12H12OS.C11H11NO2.C11H11NOS/c1-8(2)12(14)11-7-9-5-3-4-6-10(9)13-11;2*1-8(2)12(13)11-7-9-5-3-4-6-10(9)14-11;2*1-7(2)10(13)11-12-8-5-3-4-6-9(8)14-11/h3-8,13H,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one?
1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one has a molecular weight of 974.26 g/mol, XLogP of 15.82, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1-benzothiophen-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 158183597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).