2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane

C47H87N7O4S — CID 159616717

IUPAC2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane
SMILESC.CC.CC.CC(C)(C)CC1CNC(=O)O1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccno1.Cc1nnc(CC(C)(C)C)o1.Cc1nnc(CC(C)(C)C)s1
InChIInChI=1S/C10H15N.C8H14N2O.C8H14N2S.C8H15NO2.C8H13NO.2C2H6.CH4/c1-10(2,3)7-9-5-4-6-11-8-9;2*1-6-9-10-7(11-6)5-8(2,3)4;1-8(2,3)4-6-5-9-7(10)11-6;1-8(2,3)6-7-4-5-9-10-7;2*1-2;/h4-6,8H,7H2,1-3H3;2*5H2,1-4H3;6H,4-5H2,1-3H3,(H,9,10);4-5H,6H2,1-3H3;2*1-2H3;1H4
InChIKeyMNJMZNLRQYXRMG-UHFFFAOYSA-N
MW846.33 g/mol
LogP13.55
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane

2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane (PubChem CID 159616717) has the molecular formula C47H87N7O4S and a molecular weight of 846.33 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane
PubChem CID159616717
Molecular FormulaC47H87N7O4S
Molecular Weight846.33 g/mol
Exact Mass845.65
IUPAC Name2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane
SMILESC.CC.CC.CC(C)(C)CC1CNC(=O)O1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccno1.Cc1nnc(CC(C)(C)C)o1.Cc1nnc(CC(C)(C)C)s1
InChIInChI=1S/C10H15N.C8H14N2O.C8H14N2S.C8H15NO2.C8H13NO.2C2H6.CH4/c1-10(2,3)7-9-5-4-6-11-8-9;2*1-6-9-10-7(11-6)5-8(2,3)4;1-8(2,3)4-6-5-9-7(10)11-6;1-8(2,3)6-7-4-5-9-10-7;2*1-2;/h4-6,8H,7H2,1-3H3;2*5H2,1-4H3;6H,4-5H2,1-3H3,(H,9,10);4-5H,6H2,1-3H3;2*1-2H3;1H4
InChIKeyMNJMZNLRQYXRMG-UHFFFAOYSA-N
XLogP13.55
TPSA141.95 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500846.33
LogP ≤ 513.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane with MolForge

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Related Compounds

2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
CID 21365770
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole
CID 161352054
5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97192507
N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 144630713
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72886612
2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 149358576
2-cyclopropyl-1-pyridin-3-ylpropan-2-ol
CID 104735640
1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
CID 104735827

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane (CID 159616717) is 2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane is C.CC.CC.CC(C)(C)CC1CNC(=O)O1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccno1.Cc1nnc(CC(C)(C)C)o1.Cc1nnc(CC(C)(C)C)s1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane?
The InChIKey is MNJMZNLRQYXRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C8H14N2O.C8H14N2S.C8H15NO2.C8H13NO.2C2H6.CH4/c1-10(2,3)7-9-5-4-6-11-8-9;2*1-6-9-10-7(11-6)5-8(2,3)4;1-8(2,3)4-6-5-9-7(10)11-6;1-8(2,3)6-7-4-5-9-10-7;2*1-2;/h4-6,8H,7H2,1-3H3;2*5H2,1-4H3;6H,4-5H2,1-3H3,(H,9,10);4-5H,6H2,1-3H3;2*1-2H3;1H4.
What are the key properties of 2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane?
2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane has a molecular weight of 846.33 g/mol, XLogP of 13.55, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)pyridine;ethane;methane is sourced from PubChem (CID 159616717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).