2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene

C126H204N14O4S4 — CID 158580824

IUPAC2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/2C11H17N.3C10H16N2.C10H16O.C10H16S.3C9H15NO.3C9H15NS/c2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8/h2*5-9H,1-4H3;3*5-8H,1-4H3;2*5-8H,1-4H3;6*5-7H,1-4H3
InChIKeyHTFSZQPURQFWKA-UHFFFAOYSA-N
MW2107.38 g/mol
LogP41.28
Rot. Bonds26

About 2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene

2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene (PubChem CID 158580824) has the molecular formula C126H204N14O4S4 and a molecular weight of 2107.38 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene
PubChem CID158580824
Molecular FormulaC126H204N14O4S4
Molecular Weight2107.38 g/mol
Exact Mass2105.51
IUPAC Name2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/2C11H17N.3C10H16N2.C10H16O.C10H16S.3C9H15NO.3C9H15NS/c2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8/h2*5-9H,1-4H3;3*5-8H,1-4H3;2*5-8H,1-4H3;6*5-7H,1-4H3
InChIKeyHTFSZQPURQFWKA-UHFFFAOYSA-N
XLogP41.28
TPSA233.02 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002107.38
LogP ≤ 541.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene?
The IUPAC name of 2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene (CID 158580824) is 2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene.
What is the SMILES notation for 2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene?
The canonical SMILES for 2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene is CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.
What is the InChIKey of 2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene?
The InChIKey is HTFSZQPURQFWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17N.3C10H16N2.C10H16O.C10H16S.3C9H15NO.3C9H15NS/c2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8/h2*5-9H,1-4H3;3*5-8H,1-4H3;2*5-8H,1-4H3;6*5-7H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene?
2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene has a molecular weight of 2107.38 g/mol, XLogP of 41.28, 26 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene is sourced from PubChem (CID 158580824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).