2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine

C48H86N6O2 — CID 159136983

IUPAC2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(C(C)C)N(C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccn(C(C)C)n1
InChIInChI=1S/C11H23N.C10H16O.2C9H16N2.C9H15NO/c1-8(2)10-6-11(9(3)4)12(5)7-10;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8/h8-11H,6-7H2,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyKHPQKJYOVAXVRI-UHFFFAOYSA-N
MW779.26 g/mol
LogP14.31
Rot. Bonds10

About 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine

2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine (PubChem CID 159136983) has the molecular formula C48H86N6O2 and a molecular weight of 779.26 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine
PubChem CID159136983
Molecular FormulaC48H86N6O2
Molecular Weight779.26 g/mol
Exact Mass778.68
IUPAC Name2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(C(C)C)N(C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccn(C(C)C)n1
InChIInChI=1S/C11H23N.C10H16O.2C9H16N2.C9H15NO/c1-8(2)10-6-11(9(3)4)12(5)7-10;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8/h8-11H,6-7H2,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyKHPQKJYOVAXVRI-UHFFFAOYSA-N
XLogP14.31
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.26
LogP ≤ 514.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine with MolForge

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Related Compounds

1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 28957616
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrole
CID 157208151
2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)
CID 158289466
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole
CID 158336880
CID 158355008
CID 158355008
2,3-dimethyl-5-propan-2-ylfuran;3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;2,4-dimethyl-5-propan-2-yl-1,3-oxazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(4-methyl-2-propan-2-yl-1,3-oxazole);4-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;tris(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole
CID 158487817
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole
CID 158629319
CID 160964390
CID 160964390
Bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole
CID 165047373
CID 165062848
CID 165062848
2,3-dimethyl-5-propan-2-ylfuran;3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;2,4-dimethyl-5-propan-2-yl-1,3-oxazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(4-methyl-2-propan-2-yl-1,3-oxazole);4-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;tris(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole
CID 167708572

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine?
The IUPAC name of 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine (CID 159136983) is 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine is CC(C)C1CC(C(C)C)N(C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccn(C(C)C)n1.
What is the InChIKey of 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine?
The InChIKey is KHPQKJYOVAXVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H16O.2C9H16N2.C9H15NO/c1-8(2)10-6-11(9(3)4)12(5)7-10;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8/h8-11H,6-7H2,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine?
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine has a molecular weight of 779.26 g/mol, XLogP of 14.31, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 159136983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).