bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene)

C76H124N4O4S4 — CID 158833090

IUPACbis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene)
SMILESCC(C)c1ccoc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncsc1C(C)C.CC(C)c1ncsc1C(C)C
InChIInChI=1S/2C10H16O.2C10H16S.2C9H15NO.2C9H15NS/c4*1-7(2)9-5-6-11-10(9)8(3)4;4*1-6(2)8-9(7(3)4)11-5-10-8/h4*5-8H,1-4H3;4*5-7H,1-4H3
InChIKeyIXHGMFSBPBOWTE-UHFFFAOYSA-N
MW1286.12 g/mol
LogP27.67
Rot. Bonds16

About bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene)

bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene) (PubChem CID 158833090) has the molecular formula C76H124N4O4S4 and a molecular weight of 1286.12 g/mol. Its IUPAC name is bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene).

Molecular Properties

Compound Namebis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene)
PubChem CID158833090
Molecular FormulaC76H124N4O4S4
Molecular Weight1286.12 g/mol
Exact Mass1284.85
IUPAC Namebis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene)
SMILESCC(C)c1ccoc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncsc1C(C)C.CC(C)c1ncsc1C(C)C
InChIInChI=1S/2C10H16O.2C10H16S.2C9H15NO.2C9H15NS/c4*1-7(2)9-5-6-11-10(9)8(3)4;4*1-6(2)8-9(7(3)4)11-5-10-8/h4*5-8H,1-4H3;4*5-7H,1-4H3
InChIKeyIXHGMFSBPBOWTE-UHFFFAOYSA-N
XLogP27.67
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001286.12
LogP ≤ 527.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene) with MolForge

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Related Compounds

2,3-Dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene)
CID 158125091
2,5-Dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157114063
Bis(2,3,4-trimethylfuran);bis(2,3,5-trimethylfuran);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,3,4-trimethylthiophene);bis(2,3,5-trimethylthiophene)
CID 157238555
2,4-Ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole
CID 157241775
1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)
CID 157574913
2-(2,2-Dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
CID 158150487
Ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 158270647
1-(3-methylbutoxy)-3-propan-2-ylbenzene;1-(3-methylbutylsulfanyl)-3-propan-2-ylbenzene;2-[(E)-4-methylpent-1-enyl]-5-propan-2-ylfuran;2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]-5-propan-2-ylthiophene;2-(4-methylpentyl)-5-propan-2-ylfuran;2-(4-methylpentyl)-5-propan-2-ylthiophene;2-(4-methylpent-1-ynyl)-5-propan-2-ylfuran;2-(4-methylpent-1-ynyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpent-1-ynyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-5-propan-2-ylthiophene
CID 158502892
2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 158599920
Ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 158633664
1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)
CID 158918065
4,5-Di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene
CID 159058471

Frequently Asked Questions

What is the IUPAC name of bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene)?
The IUPAC name of bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene) (CID 158833090) is bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene).
What is the SMILES notation for bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene)?
The canonical SMILES for bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene) is CC(C)c1ccoc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncsc1C(C)C.CC(C)c1ncsc1C(C)C.
What is the InChIKey of bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene)?
The InChIKey is IXHGMFSBPBOWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16O.2C10H16S.2C9H15NO.2C9H15NS/c4*1-7(2)9-5-6-11-10(9)8(3)4;4*1-6(2)8-9(7(3)4)11-5-10-8/h4*5-8H,1-4H3;4*5-7H,1-4H3.
What are the key properties of bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene)?
bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene) has a molecular weight of 1286.12 g/mol, XLogP of 27.67, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene) is sourced from PubChem (CID 158833090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).