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

C49H87N5O3S — CID 167666944

IUPAC5-(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
SMILESC=C1NCC(CC(C)(C)C)O1.CC.CC.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccno1.Cc1cnc(CC(C)(C)C)o1.Cc1cnc(CC(C)(C)C)s1
InChIInChI=1S/C10H15N.C9H17NO.C9H15NO.C9H15NS.C8H13NO.2C2H6/c1-10(2,3)7-9-5-4-6-11-8-9;1-7-10-6-8(11-7)5-9(2,3)4;2*1-7-6-10-8(11-7)5-9(2,3)4;1-8(2,3)6-7-4-5-9-10-7;2*1-2/h4-6,8H,7H2,1-3H3;8,10H,1,5-6H2,2-4H3;2*6H,5H2,1-4H3;4-5H,6H2,1-3H3;2*1-2H3
InChIKeySTXMGJDJAIPCSX-UHFFFAOYSA-N
MW826.33 g/mol
LogP14.48
Rot. Bonds5

About 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

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 (PubChem CID 167666944) has the molecular formula C49H87N5O3S and a molecular weight of 826.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID167666944
Molecular FormulaC49H87N5O3S
Molecular Weight826.33 g/mol
Exact Mass825.65
IUPAC Name5-(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
SMILESC=C1NCC(CC(C)(C)C)O1.CC.CC.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccno1.Cc1cnc(CC(C)(C)C)o1.Cc1cnc(CC(C)(C)C)s1
InChIInChI=1S/C10H15N.C9H17NO.C9H15NO.C9H15NS.C8H13NO.2C2H6/c1-10(2,3)7-9-5-4-6-11-8-9;1-7-10-6-8(11-7)5-9(2,3)4;2*1-7-6-10-8(11-7)5-9(2,3)4;1-8(2,3)6-7-4-5-9-10-7;2*1-2/h4-6,8H,7H2,1-3H3;8,10H,1,5-6H2,2-4H3;2*6H,5H2,1-4H3;4-5H,6H2,1-3H3;2*1-2H3
InChIKeySTXMGJDJAIPCSX-UHFFFAOYSA-N
XLogP14.48
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.33
LogP ≤ 514.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

Decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene
CID 158350317
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
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
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;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-thiazole
CID 167613932

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1NCC(CC(C)(C)C)O1.CC.CC.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccno1.Cc1cnc(CC(C)(C)C)o1.Cc1cnc(CC(C)(C)C)s1.
What is the InChIKey of 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?
The InChIKey is STXMGJDJAIPCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H17NO.C9H15NO.C9H15NS.C8H13NO.2C2H6/c1-10(2,3)7-9-5-4-6-11-8-9;1-7-10-6-8(11-7)5-9(2,3)4;2*1-7-6-10-8(11-7)5-9(2,3)4;1-8(2,3)6-7-4-5-9-10-7;2*1-2/h4-6,8H,7H2,1-3H3;8,10H,1,5-6H2,2-4H3;2*6H,5H2,1-4H3;4-5H,6H2,1-3H3;2*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 826.33 g/mol, XLogP of 14.48, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167666944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).