4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole

C42H78N4O3 — CID 160543877

IUPAC4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole
SMILESCC1CCCC1.CC1CCCC1.CC1CCOC1.CCC(C)CC.CCc1c(C)noc1C.CCn1nccc1C.Cc1noc(C)c1C
InChIInChI=1S/C7H11NO.C6H10N2.C6H9NO.2C6H12.C6H14.C5H10O/c1-4-7-5(2)8-9-6(7)3;1-3-8-6(2)4-5-7-8;1-4-5(2)7-8-6(4)3;2*1-6-4-2-3-5-6;1-4-6(3)5-2;1-5-2-3-6-4-5/h4H2,1-3H3;4-5H,3H2,1-2H3;1-3H3;2*6H,2-5H2,1H3;6H,4-5H2,1-3H3;5H,2-4H2,1H3
InChIKeyQXDVZHATRCAURX-UHFFFAOYSA-N
MW687.11 g/mol
LogP12.54
Rot. Bonds4

About 4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole

4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole (PubChem CID 160543877) has the molecular formula C42H78N4O3 and a molecular weight of 687.11 g/mol. Its IUPAC name is 4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole
PubChem CID160543877
Molecular FormulaC42H78N4O3
Molecular Weight687.11 g/mol
Exact Mass686.61
IUPAC Name4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole
SMILESCC1CCCC1.CC1CCCC1.CC1CCOC1.CCC(C)CC.CCc1c(C)noc1C.CCn1nccc1C.Cc1noc(C)c1C
InChIInChI=1S/C7H11NO.C6H10N2.C6H9NO.2C6H12.C6H14.C5H10O/c1-4-7-5(2)8-9-6(7)3;1-3-8-6(2)4-5-7-8;1-4-5(2)7-8-6(4)3;2*1-6-4-2-3-5-6;1-4-6(3)5-2;1-5-2-3-6-4-5/h4H2,1-3H3;4-5H,3H2,1-2H3;1-3H3;2*6H,2-5H2,1H3;6H,4-5H2,1-3H3;5H,2-4H2,1H3
InChIKeyQXDVZHATRCAURX-UHFFFAOYSA-N
XLogP12.54
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.11
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole with MolForge

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Related Compounds

3,5-Dimethyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole
CID 63810130
3,5-Dimethyl-1,2-oxazole;1,4-dimethylpyrazole;ethane;1,3,5-trimethylpyrazole
CID 153569040
1,3-Dimethyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
CID 157987809
4-Ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;methylcyclopentane;bis(3-methyloxolane);3-methylpentane;3,4,5-trimethyl-1,2-oxazole
CID 158312352
4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole
CID 158553551
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole
CID 159263204
4-tert-butyl-3,6-dihydro-2H-pyran;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1-methylpyrazole
CID 159400654
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole
CID 159482893
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 160337394
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole
CID 160870825
Bis(5-tert-butyl-3-methyl-1,2-oxazole);4-tert-butyl-1-methylpyrazole;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;methane
CID 161480097
4-Tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1-methylpyrazole
CID 162158293

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole?
The IUPAC name of 4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole (CID 160543877) is 4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole.
What is the SMILES notation for 4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole?
The canonical SMILES for 4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole is CC1CCCC1.CC1CCCC1.CC1CCOC1.CCC(C)CC.CCc1c(C)noc1C.CCn1nccc1C.Cc1noc(C)c1C.
What is the InChIKey of 4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole?
The InChIKey is QXDVZHATRCAURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C6H10N2.C6H9NO.2C6H12.C6H14.C5H10O/c1-4-7-5(2)8-9-6(7)3;1-3-8-6(2)4-5-7-8;1-4-5(2)7-8-6(4)3;2*1-6-4-2-3-5-6;1-4-6(3)5-2;1-5-2-3-6-4-5/h4H2,1-3H3;4-5H,3H2,1-2H3;1-3H3;2*6H,2-5H2,1H3;6H,4-5H2,1-3H3;5H,2-4H2,1H3.
What are the key properties of 4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole?
4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole has a molecular weight of 687.11 g/mol, XLogP of 12.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole is sourced from PubChem (CID 160543877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).