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

C36H62N4O3S — CID 167613932

IUPAC5-(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
SMILESC=C1NCC(CC(C)(C)C)O1.Cc1cc(CC(C)(C)C)on1.Cc1cnc(CC(C)(C)C)o1.Cc1cnc(CC(C)(C)C)s1
InChIInChI=1S/C9H17NO.2C9H15NO.C9H15NS/c1-7-10-6-8(11-7)5-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4/h8,10H,1,5-6H2,2-4H3;6H,5H2,1-4H3;5H,6H2,1-4H3;6H,5H2,1-4H3
InChIKeyLLRMTHRLSCDSKH-UHFFFAOYSA-N
MW630.98 g/mol
LogP10.07
Rot. Bonds4

About 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

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 (PubChem CID 167613932) has the molecular formula C36H62N4O3S and a molecular weight of 630.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID167613932
Molecular FormulaC36H62N4O3S
Molecular Weight630.98 g/mol
Exact Mass630.45
IUPAC Name5-(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
SMILESC=C1NCC(CC(C)(C)C)O1.Cc1cc(CC(C)(C)C)on1.Cc1cnc(CC(C)(C)C)o1.Cc1cnc(CC(C)(C)C)s1
InChIInChI=1S/C9H17NO.2C9H15NO.C9H15NS/c1-7-10-6-8(11-7)5-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4/h8,10H,1,5-6H2,2-4H3;6H,5H2,1-4H3;5H,6H2,1-4H3;6H,5H2,1-4H3
InChIKeyLLRMTHRLSCDSKH-UHFFFAOYSA-N
XLogP10.07
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.98
LogP ≤ 510.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole
CID 157168276
5-Tert-butyl-1,3-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1,3-thiazole;3,5-ditert-butyl-1-methylpyrazole;2-propan-2-yl-1,3-oxazole
CID 157981696
2,5-Dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole
CID 158075783
2,5-Di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);methane
CID 159178983
2-(2,2-Dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-thiazole
CID 160006332
5-Tert-butyl-3-methyl-1,2-oxazole;3,5-ditert-butyl-1-methylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole
CID 160162064
2-(2,2-Dimethylpropyl)-5-methyl-1,3,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one
CID 160316020
2-Tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3-thiazole
CID 161710571
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;5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one
CID 161760030
2,5-Di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(2,5-di(propan-2-yl)-1,3-thiazole)
CID 161982996
4-Tert-butyl-2,5-dimethyl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);3,4-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;methane;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-oxazole
CID 162037591
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1NCC(CC(C)(C)C)O1.Cc1cc(CC(C)(C)C)on1.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;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-thiazole?
The InChIKey is LLRMTHRLSCDSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.2C9H15NO.C9H15NS/c1-7-10-6-8(11-7)5-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4/h8,10H,1,5-6H2,2-4H3;6H,5H2,1-4H3;5H,6H2,1-4H3;6H,5H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 630.98 g/mol, XLogP of 10.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 167613932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).