2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole

C138H202F4N10O5 — CID 164983382

About 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole

2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole (PubChem CID 164983382) has the molecular formula C138H202F4N10O5 and a molecular weight of 2157.19 g/mol. Its IUPAC name is 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole
• PubChem CID: 164983382
• Molecular Formula: C138H202F4N10O5
• Molecular Weight: 2157.19 g/mol
• Exact Mass: 2155.58
• IUPAC Name: 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole
• SMILES: C.C#CC(C)c1cc(C)ccc1C(C)C.CC(C)Cc1ccco1.CC(C)c1c(C(C)O)cccc1C(C)O.CC(C)c1cccc(C#N)c1.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnn(C(C)C)c1.CCC1=NCC(CC)=C1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1
• InChI: InChI=1S/C14H17NO.C14H18.C13H17F2N.C13H20O2.C13H20.C12H16F2N2.C11H19N.C11H16O.C10H11N.2C9H16N2.C8H12O.CH4/c1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-6-12(5)14-9-11(4)7-8-13(14)10(2)3;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-8(2)13-11(9(3)14)6-5-7-12(13)10(4)15;1-9(2)12-7-6-11(5)8-13(12)10(3)4;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-5-9-7-12-10(6-2)11(9)8(3)4;1-8(2)10-6-4-5-7-11(10)9(3)12;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)6-8-4-3-5-9-8;/h4-11H,1-3H3;1,7-10,12H,2-5H3;3-6,10H,7-9H2,1-2H3;5-10,14-15H,1-4H3;6-10H,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;8H,5-7H2,1-4H3;4-9,12H,1-3H3;3-6,8H,1-2H3;2*5-8H,1-4H3;3-5,7H,6H2,1-2H3;1H4
• InChIKey: FUTKDAJEDOEMLL-UHFFFAOYSA-N
• XLogP: 38.72
• TPSA: 191.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2157.19
LogP ≤ 5	38.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole?

The IUPAC name of 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole (CID 164983382) is 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole.

What is the SMILES notation for 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole?

The canonical SMILES for 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole is C.C#CC(C)c1cc(C)ccc1C(C)C.CC(C)Cc1ccco1.CC(C)c1c(C(C)O)cccc1C(C)O.CC(C)c1cccc(C#N)c1.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnn(C(C)C)c1.CCC1=NCC(CC)=C1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1.

What is the InChIKey of 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole?

The InChIKey is FUTKDAJEDOEMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C14H18.C13H17F2N.C13H20O2.C13H20.C12H16F2N2.C11H19N.C11H16O.C10H11N.2C9H16N2.C8H12O.CH4/c1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-6-12(5)14-9-11(4)7-8-13(14)10(2)3;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-8(2)13-11(9(3)14)6-5-7-12(13)10(4)15;1-9(2)12-7-6-11(5)8-13(12)10(3)4;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-5-9-7-12-10(6-2)11(9)8(3)4;1-8(2)10-6-4-5-7-11(10)9(3)12;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)6-8-4-3-5-9-8;/h4-11H,1-3H3;1,7-10,12H,2-5H3;3-6,10H,7-9H2,1-2H3;5-10,14-15H,1-4H3;6-10H,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;8H,5-7H2,1-4H3;4-9,12H,1-3H3;3-6,8H,1-2H3;2*5-8H,1-4H3;3-5,7H,6H2,1-2H3;1H4.

What are the key properties of 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole?

2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole has a molecular weight of 2157.19 g/mol, XLogP of 38.72, 26 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole is sourced from PubChem (CID 164983382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).