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

C47H81N7O2 — CID 158336880

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-3,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccn(C(C)C)n1
InChIInChI=1S/C10H18N2.C10H16O.2C9H16N2.C9H15NO/c1-7(2)9-6-10(8(3)4)12(5)11-9;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/h6-8H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyGQROQECIWHHDCY-UHFFFAOYSA-N
MW776.21 g/mol
LogP14.36
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-3,5-di(propan-2-yl)pyrazole

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 (PubChem CID 158336880) has the molecular formula C47H81N7O2 and a molecular weight of 776.21 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-3,5-di(propan-2-yl)pyrazole.

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-3,5-di(propan-2-yl)pyrazole
PubChem CID158336880
Molecular FormulaC47H81N7O2
Molecular Weight776.21 g/mol
Exact Mass775.65
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-3,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccn(C(C)C)n1
InChIInChI=1S/C10H18N2.C10H16O.2C9H16N2.C9H15NO/c1-7(2)9-6-10(8(3)4)12(5)11-9;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/h6-8H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyGQROQECIWHHDCY-UHFFFAOYSA-N
XLogP14.36
TPSA103.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.21
LogP ≤ 514.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-3,5-di(propan-2-yl)pyrazole 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
CID 158355008
CID 158355008
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
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
CID 160964390
CID 160964390
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-3,5-di(propan-2-yl)pyrazole?
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-3,5-di(propan-2-yl)pyrazole (CID 158336880) 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-3,5-di(propan-2-yl)pyrazole.
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-3,5-di(propan-2-yl)pyrazole?
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-3,5-di(propan-2-yl)pyrazole is CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)n(C)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-3,5-di(propan-2-yl)pyrazole?
The InChIKey is GQROQECIWHHDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C10H16O.2C9H16N2.C9H15NO/c1-7(2)9-6-10(8(3)4)12(5)11-9;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/h6-8H,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-3,5-di(propan-2-yl)pyrazole?
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 has a molecular weight of 776.21 g/mol, XLogP of 14.36, 10 rotatable bonds, 1 hydrogen bond donors, and 8 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-3,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 158336880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).