1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one

C78H118N10O11S3 — CID 157225287

IUPAC1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one
SMILESCc1cc(C(=O)CC(C)C)nn1C.Cc1cc(C(=O)CC(C)C)oc1C.Cc1cc(C(=O)CC(C)C)sc1C.Cc1nc(C(=O)CC(C)C)cn1C.Cc1nc(C(=O)CC(C)C)oc1C.Cc1nc(C(=O)CC(C)C)sc1C.Cc1noc(C(=O)CC(C)C)n1.Cc1nsc(C(=O)CC(C)C)n1
InChIInChI=1S/C11H16O2.C11H16OS.2C10H16N2O.C10H15NO2.C10H15NOS.C8H12N2O2.C8H12N2OS/c2*1-7(2)5-10(12)11-6-8(3)9(4)13-11;1-7(2)5-10(13)9-6-12(4)8(3)11-9;1-7(2)5-10(13)9-6-8(3)12(4)11-9;2*1-6(2)5-9(12)10-11-7(3)8(4)13-10;2*1-5(2)4-7(11)8-9-6(3)10-12-8/h4*6-7H,5H2,1-4H3;2*6H,5H2,1-4H3;2*5H,4H2,1-3H3
InChIKeyATLUCCPAMKKXOD-UHFFFAOYSA-N
MW1468.06 g/mol
LogP19.82
Rot. Bonds24

About 1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one

1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one (PubChem CID 157225287) has the molecular formula C78H118N10O11S3 and a molecular weight of 1468.06 g/mol. Its IUPAC name is 1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one
PubChem CID157225287
Molecular FormulaC78H118N10O11S3
Molecular Weight1468.06 g/mol
Exact Mass1466.81
IUPAC Name1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one
SMILESCc1cc(C(=O)CC(C)C)nn1C.Cc1cc(C(=O)CC(C)C)oc1C.Cc1cc(C(=O)CC(C)C)sc1C.Cc1nc(C(=O)CC(C)C)cn1C.Cc1nc(C(=O)CC(C)C)oc1C.Cc1nc(C(=O)CC(C)C)sc1C.Cc1noc(C(=O)CC(C)C)n1.Cc1nsc(C(=O)CC(C)C)n1
InChIInChI=1S/C11H16O2.C11H16OS.2C10H16N2O.C10H15NO2.C10H15NOS.C8H12N2O2.C8H12N2OS/c2*1-7(2)5-10(12)11-6-8(3)9(4)13-11;1-7(2)5-10(13)9-6-12(4)8(3)11-9;1-7(2)5-10(13)9-6-8(3)12(4)11-9;2*1-6(2)5-9(12)10-11-7(3)8(4)13-10;2*1-5(2)4-7(11)8-9-6(3)10-12-8/h4*6-7H,5H2,1-4H3;2*6H,5H2,1-4H3;2*5H,4H2,1-3H3
InChIKeyATLUCCPAMKKXOD-UHFFFAOYSA-N
XLogP19.82
TPSA288.96 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.06
LogP ≤ 519.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one with MolForge

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Related Compounds

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CID 157658282
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2,5-dimethyl-6,7-dihydro-1H-benzimidazole;2,5-dimethyl-6,7-dihydro-1-benzofuran;2,6-dimethyl-4,5-dihydro-1-benzofuran;2,5-dimethyl-6,7-dihydro-1,3-benzothiazole;2,6-dimethyl-4,5-dihydro-1,3-benzothiazole;2,5-dimethyl-6,7-dihydro-1-benzothiophene;2,6-dimethyl-4,5-dihydro-1-benzothiophene;2,6-dimethyl-4,5-dihydrobenzotriazole;2,5-dimethyl-6,7-dihydro-1,3-benzoxazole;2,6-dimethyl-4,5-dihydro-1,3-benzoxazole;2,5-dimethyl-6,7-dihydroindazole;2,6-dimethyl-4,5-dihydroindazole;2,6-dimethyl-4,5-dihydro-1H-indene;2,5-dimethyl-6,7-dihydro-1H-indole;2,5-dimethyl-6,7-dihydro-3H-indole
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1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-3H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole
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1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-3H-pyrazole;5-tert-butyl-3H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
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CID 157580930

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one?
The IUPAC name of 1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one (CID 157225287) is 1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one is Cc1cc(C(=O)CC(C)C)nn1C.Cc1cc(C(=O)CC(C)C)oc1C.Cc1cc(C(=O)CC(C)C)sc1C.Cc1nc(C(=O)CC(C)C)cn1C.Cc1nc(C(=O)CC(C)C)oc1C.Cc1nc(C(=O)CC(C)C)sc1C.Cc1noc(C(=O)CC(C)C)n1.Cc1nsc(C(=O)CC(C)C)n1.
What is the InChIKey of 1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one?
The InChIKey is ATLUCCPAMKKXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C11H16OS.2C10H16N2O.C10H15NO2.C10H15NOS.C8H12N2O2.C8H12N2OS/c2*1-7(2)5-10(12)11-6-8(3)9(4)13-11;1-7(2)5-10(13)9-6-12(4)8(3)11-9;1-7(2)5-10(13)9-6-8(3)12(4)11-9;2*1-6(2)5-9(12)10-11-7(3)8(4)13-10;2*1-5(2)4-7(11)8-9-6(3)10-12-8/h4*6-7H,5H2,1-4H3;2*6H,5H2,1-4H3;2*5H,4H2,1-3H3.
What are the key properties of 1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one?
1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one has a molecular weight of 1468.06 g/mol, XLogP of 19.82, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylfuran-2-yl)-3-methylbutan-1-one;1-(1,2-dimethylimidazol-4-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-methylbutan-1-one;1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutan-1-one;1-(4,5-dimethylthiophen-2-yl)-3-methylbutan-1-one;3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-1-one is sourced from PubChem (CID 157225287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).