4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole

C52H89N9OS2 — CID 161082091

IUPAC4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole
SMILESCCc1c(C)c(C(C)C)nn1C.CCc1cc(C(C)C)nn1C.CCc1sc(C(C)C)nc1C.Cc1cc(C(C)C)nn1C.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)sc1C
InChIInChI=1S/C10H18N2.C9H16N2.C9H15NS.C8H14N2.C8H13NO.C8H13NS/c1-6-9-8(4)10(7(2)3)11-12(9)5;1-5-8-6-9(7(2)3)10-11(8)4;1-5-8-7(4)10-9(11-8)6(2)3;1-6(2)8-5-7(3)10(4)9-8;2*1-5(2)8-9-6(3)7(4)10-8/h7H,6H2,1-5H3;6-7H,5H2,1-4H3;6H,5H2,1-4H3;5-6H,1-4H3;2*5H,1-4H3
InChIKeyUGAUKWWCCDJMDZ-UHFFFAOYSA-N
MW920.48 g/mol
LogP14.81
Rot. Bonds9

About 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole

4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole (PubChem CID 161082091) has the molecular formula C52H89N9OS2 and a molecular weight of 920.48 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole
PubChem CID161082091
Molecular FormulaC52H89N9OS2
Molecular Weight920.48 g/mol
Exact Mass919.66
IUPAC Name4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole
SMILESCCc1c(C)c(C(C)C)nn1C.CCc1cc(C(C)C)nn1C.CCc1sc(C(C)C)nc1C.Cc1cc(C(C)C)nn1C.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)sc1C
InChIInChI=1S/C10H18N2.C9H16N2.C9H15NS.C8H14N2.C8H13NO.C8H13NS/c1-6-9-8(4)10(7(2)3)11-12(9)5;1-5-8-6-9(7(2)3)10-11(8)4;1-5-8-7(4)10-9(11-8)6(2)3;1-6(2)8-5-7(3)10(4)9-8;2*1-5(2)8-9-6(3)7(4)10-8/h7H,6H2,1-5H3;6-7H,5H2,1-4H3;6H,5H2,1-4H3;5-6H,1-4H3;2*5H,1-4H3
InChIKeyUGAUKWWCCDJMDZ-UHFFFAOYSA-N
XLogP14.81
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500920.48
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Launch Full Analysis

Related Compounds

2,5-Bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 157864099
2,5-Bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 158392967
2,5-Bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 158534205
5-Cyclopropyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-(fluoromethyl)-5-methyl-2-propan-2-yl-1,3-thiazole
CID 158865708
2,3-Dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole)
CID 159486422

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole (CID 161082091) is 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole is CCc1c(C)c(C(C)C)nn1C.CCc1cc(C(C)C)nn1C.CCc1sc(C(C)C)nc1C.Cc1cc(C(C)C)nn1C.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)sc1C.
What is the InChIKey of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is UGAUKWWCCDJMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C9H16N2.C9H15NS.C8H14N2.C8H13NO.C8H13NS/c1-6-9-8(4)10(7(2)3)11-12(9)5;1-5-8-6-9(7(2)3)10-11(8)4;1-5-8-7(4)10-9(11-8)6(2)3;1-6(2)8-5-7(3)10(4)9-8;2*1-5(2)8-9-6(3)7(4)10-8/h7H,6H2,1-5H3;6-7H,5H2,1-4H3;6H,5H2,1-4H3;5-6H,1-4H3;2*5H,1-4H3.
What are the key properties of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole?
4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 920.48 g/mol, XLogP of 14.81, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 161082091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).