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

C47H78N4O3S — CID 161370297

IUPAC2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)o1
InChIInChI=1S/C10H16O.C10H16S.C9H16N2.2C9H15NO/c2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8/h2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3
InChIKeyVQJKHNUCJMALAO-UHFFFAOYSA-N
MW779.23 g/mol
LogP16.02
Rot. Bonds10

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

2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene (PubChem CID 161370297) has the molecular formula C47H78N4O3S and a molecular weight of 779.23 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene
PubChem CID161370297
Molecular FormulaC47H78N4O3S
Molecular Weight779.23 g/mol
Exact Mass778.58
IUPAC Name2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)o1
InChIInChI=1S/C10H16O.C10H16S.C9H16N2.2C9H15NO/c2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8/h2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3
InChIKeyVQJKHNUCJMALAO-UHFFFAOYSA-N
XLogP16.02
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.23
LogP ≤ 516.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-3-methylfuran;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylthiophene;2,2-difluoro-3,3-dimethylbutane;2,2-difluoro-4,4-dimethylpentane;1-(1,1-difluoroethoxy)-2,2-dimethylpropane;2,2-dimethylbutane;bis(3-fluoro-2,2-dimethylbutane);(3R)-3-fluoro-2,2-dimethylbutane;(3S)-3-fluoro-2,2-dimethylbutane;4-fluoro-2,2-dimethylpentane;1-(1-fluoroethoxy)-2,2-dimethylpropane;methane;2,2,3,3-tetramethylbutane;bis(2,2,3-trimethylbutane);(3R)-2,2,3-trimethylpentane;(3S)-2,2,3-trimethylpentane
CID 161251363
5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3H-1,2-oxazole
CID 141060256
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;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;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylthiophene;3-tert-butylthiophene;ethane
CID 157403668
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
1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane
CID 158730183
2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene
CID 159000905
Bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(3,5-di(propan-2-yl)-1,2-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
CID 159247338
1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene
CID 159357751
CID 160964390
CID 160964390
1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole
CID 161359977
1,4-ditert-butylcyclopenta-1,3-diene;2,5-ditert-butylfuran;bis(3,5-ditert-butyl-1-methylpyrazole);2,5-ditert-butyl-1-methylpyrrole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-pyrazole;3,5-ditert-butyl-4H-pyrazole;2,4-ditert-butyl-3H-pyrrole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butylthiophene
CID 161544318

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene?
The IUPAC name of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene (CID 161370297) is 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene?
The canonical SMILES for 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene is CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)o1.
What is the InChIKey of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene?
The InChIKey is VQJKHNUCJMALAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.C10H16S.C9H16N2.2C9H15NO/c2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8/h2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene?
2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene has a molecular weight of 779.23 g/mol, XLogP of 16.02, 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;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 161370297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).