3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole

C17H32N2O2 — CID 159483141

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole
SMILESC.CC.CC(C)c1cnoc1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C6H9NO.C2H6.CH4/c1-5(2)8-6(3)9-10-7(8)4;1-5(2)6-3-7-8-4-6;1-2;/h5H,1-4H3;3-5H,1-2H3;1-2H3;1H4
InChIKeyLXGDJXHTWGJRTH-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.88
Rot. Bonds2

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole (PubChem CID 159483141) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole
PubChem CID159483141
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole
SMILESC.CC.CC(C)c1cnoc1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C6H9NO.C2H6.CH4/c1-5(2)8-6(3)9-10-7(8)4;1-5(2)6-3-7-8-4-6;1-2;/h5H,1-4H3;3-5H,1-2H3;1-2H3;1H4
InChIKeyLXGDJXHTWGJRTH-UHFFFAOYSA-N
XLogP5.88
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole 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

4,5-Dimethyl-1,2-oxazole;3,4,5-trimethyl-1,2-oxazole
CID 144166076
3,4-Dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane
CID 157092765
3,4-Dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole
CID 157304285
3,4-Di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
CID 157311213
3,4-Di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
CID 157472924
Bis(3,4-di(propan-2-yl)-1,2-oxazole);bis(4,5-di(propan-2-yl)-1,2-oxazole);ethane
CID 157985824
Bis(3,4-di(propan-2-yl)-1,2-oxazole);bis(4,5-di(propan-2-yl)-1,2-oxazole);ethane;methane
CID 158006214
Bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane
CID 158154447
3,4-Ditert-butyl-5-methyl-1,2-oxazole;3,4-ditert-butyl-1,2-oxazole
CID 158410069
Ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
CID 158766972
3,4-Di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
CID 159290886
4,5-Di(propan-2-yl)-1,2-oxazole;bis(3-methyl-4,5-di(propan-2-yl)-1,2-oxazole)
CID 159402532

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole (CID 159483141) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole is C.CC.CC(C)c1cnoc1.Cc1noc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole?
The InChIKey is LXGDJXHTWGJRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C6H9NO.C2H6.CH4/c1-5(2)8-6(3)9-10-7(8)4;1-5(2)6-3-7-8-4-6;1-2;/h5H,1-4H3;3-5H,1-2H3;1-2H3;1H4.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole has a molecular weight of 296.46 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;4-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 159483141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).