tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene

C101H165N7O6S — CID 161333264

IUPACtert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene
SMILESCC(C)(C)C1CC(=O)N(CCc2ccccc2)C1.CC(C)(C)C1CCCC1.CC(C)(C)CC1C=CCC1.CC(C)(C)CCc1nc(C(C)(C)C)no1.CC(C)(C)COc1ccccc1C#N.CC(C)(C)Cc1cccs1.CC(C)c1noc(CCC(C)(C)C)n1.COc1ccc(CC(C)(C)C)cc1.Cc1noc(C)c1CC(C)(C)C
InChIInChI=1S/C16H23NO.C12H22N2O.C12H15NO.C12H18O.C11H20N2O.C10H17NO.C10H18.C9H14S.C9H18/c1-16(2,3)14-11-15(18)17(12-14)10-9-13-7-5-4-6-8-13;1-11(2,3)8-7-9-13-10(14-15-9)12(4,5)6;1-12(2,3)9-14-11-7-5-4-6-10(11)8-13;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-8(2)10-12-9(14-13-10)6-7-11(3,4)5;1-7-9(6-10(3,4)5)8(2)12-11-7;1-10(2,3)8-9-6-4-5-7-9;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)8-6-4-5-7-8/h4-8,14H,9-12H2,1-3H3;7-8H2,1-6H3;4-7H,9H2,1-3H3;5-8H,9H2,1-4H3;8H,6-7H2,1-5H3;6H2,1-5H3;4,6,9H,5,7-8H2,1-3H3;4-6H,7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyVLRSZIHHTYOWNE-UHFFFAOYSA-N
MW1605.54 g/mol
LogP28.74
Rot. Bonds15

About tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene

tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene (PubChem CID 161333264) has the molecular formula C101H165N7O6S and a molecular weight of 1605.54 g/mol. Its IUPAC name is tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene.

Molecular Properties

Compound Nametert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene
PubChem CID161333264
Molecular FormulaC101H165N7O6S
Molecular Weight1605.54 g/mol
Exact Mass1604.25
IUPAC Nametert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene
SMILESCC(C)(C)C1CC(=O)N(CCc2ccccc2)C1.CC(C)(C)C1CCCC1.CC(C)(C)CC1C=CCC1.CC(C)(C)CCc1nc(C(C)(C)C)no1.CC(C)(C)COc1ccccc1C#N.CC(C)(C)Cc1cccs1.CC(C)c1noc(CCC(C)(C)C)n1.COc1ccc(CC(C)(C)C)cc1.Cc1noc(C)c1CC(C)(C)C
InChIInChI=1S/C16H23NO.C12H22N2O.C12H15NO.C12H18O.C11H20N2O.C10H17NO.C10H18.C9H14S.C9H18/c1-16(2,3)14-11-15(18)17(12-14)10-9-13-7-5-4-6-8-13;1-11(2,3)8-7-9-13-10(14-15-9)12(4,5)6;1-12(2,3)9-14-11-7-5-4-6-10(11)8-13;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-8(2)10-12-9(14-13-10)6-7-11(3,4)5;1-7-9(6-10(3,4)5)8(2)12-11-7;1-10(2,3)8-9-6-4-5-7-9;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)8-6-4-5-7-8/h4-8,14H,9-12H2,1-3H3;7-8H2,1-6H3;4-7H,9H2,1-3H3;5-8H,9H2,1-4H3;8H,6-7H2,1-5H3;6H2,1-5H3;4,6,9H,5,7-8H2,1-3H3;4-6H,7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyVLRSZIHHTYOWNE-UHFFFAOYSA-N
XLogP28.74
TPSA166.43 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.54
LogP ≤ 528.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene?
The IUPAC name of tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene (CID 161333264) is tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene.
What is the SMILES notation for tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene?
The canonical SMILES for tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene is CC(C)(C)C1CC(=O)N(CCc2ccccc2)C1.CC(C)(C)C1CCCC1.CC(C)(C)CC1C=CCC1.CC(C)(C)CCc1nc(C(C)(C)C)no1.CC(C)(C)COc1ccccc1C#N.CC(C)(C)Cc1cccs1.CC(C)c1noc(CCC(C)(C)C)n1.COc1ccc(CC(C)(C)C)cc1.Cc1noc(C)c1CC(C)(C)C.
What is the InChIKey of tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene?
The InChIKey is VLRSZIHHTYOWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C12H22N2O.C12H15NO.C12H18O.C11H20N2O.C10H17NO.C10H18.C9H14S.C9H18/c1-16(2,3)14-11-15(18)17(12-14)10-9-13-7-5-4-6-8-13;1-11(2,3)8-7-9-13-10(14-15-9)12(4,5)6;1-12(2,3)9-14-11-7-5-4-6-10(11)8-13;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-8(2)10-12-9(14-13-10)6-7-11(3,4)5;1-7-9(6-10(3,4)5)8(2)12-11-7;1-10(2,3)8-9-6-4-5-7-9;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)8-6-4-5-7-8/h4-8,14H,9-12H2,1-3H3;7-8H2,1-6H3;4-7H,9H2,1-3H3;5-8H,9H2,1-4H3;8H,6-7H2,1-5H3;6H2,1-5H3;4,6,9H,5,7-8H2,1-3H3;4-6H,7H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene?
tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene has a molecular weight of 1605.54 g/mol, XLogP of 28.74, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene is sourced from PubChem (CID 161333264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).