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

C46H83N7O4S — CID 159939701

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
SMILESCC.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/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
InChIKeyOASGBSUSXWCKNP-UHFFFAOYSA-N
MW830.28 g/mol
LogP12.92
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

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 (PubChem CID 159939701) has the molecular formula C46H83N7O4S and a molecular weight of 830.28 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.

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
PubChem CID159939701
Molecular FormulaC46H83N7O4S
Molecular Weight830.28 g/mol
Exact Mass829.62
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
SMILESCC.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/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
InChIKeyOASGBSUSXWCKNP-UHFFFAOYSA-N
XLogP12.92
TPSA141.95 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.28
LogP ≤ 512.92
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 with MolForge

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Related Compounds

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
5-(2,2-Dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane
CID 160467901
5-(2,2-Dimethylpropyl)-2-methylidene-1,3-oxazolidine;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;3-(2,2-dimethylpropyl)pyridine;ethane
CID 161029779
5-(2,2-Dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane
CID 167666944

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?
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 (CID 159939701) 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.
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?
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 is 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?
The InChIKey is OASGBSUSXWCKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C8H14N2O.C8H14N2S.C8H15NO2.C8H13NO.2C2H6/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.
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?
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 has a molecular weight of 830.28 g/mol, XLogP of 12.92, 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 is sourced from PubChem (CID 159939701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).