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

C25H47N3O2S — CID 161245738

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
SMILESC.C.CC.CC(C)c1nccs1.Cc1cc(C(C)C)on1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C7H11NO.C6H9NS.C2H6.2CH4/c1-5(2)8-6(3)9-10-7(8)4;1-5(2)7-4-6(3)8-9-7;1-5(2)6-7-3-4-8-6;1-2;;/h5H,1-4H3;4-5H,1-3H3;3-5H,1-2H3;1-2H3;2*1H4
InChIKeyVAPNULCMPVFJMM-UHFFFAOYSA-N
MW453.74 g/mol
LogP9.09
Rot. Bonds3

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

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole (PubChem CID 161245738) has the molecular formula C25H47N3O2S and a molecular weight of 453.74 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
PubChem CID161245738
Molecular FormulaC25H47N3O2S
Molecular Weight453.74 g/mol
Exact Mass453.34
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
SMILESC.C.CC.CC(C)c1nccs1.Cc1cc(C(C)C)on1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C7H11NO.C6H9NS.C2H6.2CH4/c1-5(2)8-6(3)9-10-7(8)4;1-5(2)7-4-6(3)8-9-7;1-5(2)6-7-3-4-8-6;1-2;;/h5H,1-4H3;4-5H,1-3H3;3-5H,1-2H3;1-2H3;2*1H4
InChIKeyVAPNULCMPVFJMM-UHFFFAOYSA-N
XLogP9.09
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.74
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124757468
N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 128991723
3-Propan-2-yl-5-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 154891009
3-Propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
CID 137487930
Bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1,3-thiazole
CID 143923976
Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole
CID 158504821
2-Ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 158633352
ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
CID 158683768
2-Methyl-1-(1,2-oxazol-5-yl)propan-1-one;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 159042422
5-Tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole
CID 159203613
4-Methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
CID 159876471
5-Tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole
CID 160010231

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole (CID 161245738) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole is C.C.CC.CC(C)c1nccs1.Cc1cc(C(C)C)on1.Cc1noc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The InChIKey is VAPNULCMPVFJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C7H11NO.C6H9NS.C2H6.2CH4/c1-5(2)8-6(3)9-10-7(8)4;1-5(2)7-4-6(3)8-9-7;1-5(2)6-7-3-4-8-6;1-2;;/h5H,1-4H3;4-5H,1-3H3;3-5H,1-2H3;1-2H3;2*1H4.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 453.74 g/mol, XLogP of 9.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 161245738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).