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

C41H76N4O4 — CID 158312352

IUPAC4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;methylcyclopentane;bis(3-methyloxolane);3-methylpentane;3,4,5-trimethyl-1,2-oxazole
SMILESCC1CCCC1.CC1CCOC1.CC1CCOC1.CCC(C)CC.CCc1c(C)noc1C.CCn1nccc1C.Cc1noc(C)c1C
InChIInChI=1S/C7H11NO.C6H10N2.C6H9NO.C6H12.C6H14.2C5H10O/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;1-6-4-2-3-5-6;1-4-6(3)5-2;2*1-5-2-3-6-4-5/h4H2,1-3H3;4-5H,3H2,1-2H3;1-3H3;6H,2-5H2,1H3;6H,4-5H2,1-3H3;2*5H,2-4H2,1H3
InChIKeyGNVHONSMETZWSP-UHFFFAOYSA-N
MW689.08 g/mol
LogP11.39
Rot. Bonds4

About 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

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 (PubChem CID 158312352) has the molecular formula C41H76N4O4 and a molecular weight of 689.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;methylcyclopentane;bis(3-methyloxolane);3-methylpentane;3,4,5-trimethyl-1,2-oxazole
PubChem CID158312352
Molecular FormulaC41H76N4O4
Molecular Weight689.08 g/mol
Exact Mass688.59
IUPAC Name4-ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;methylcyclopentane;bis(3-methyloxolane);3-methylpentane;3,4,5-trimethyl-1,2-oxazole
SMILESCC1CCCC1.CC1CCOC1.CC1CCOC1.CCC(C)CC.CCc1c(C)noc1C.CCn1nccc1C.Cc1noc(C)c1C
InChIInChI=1S/C7H11NO.C6H10N2.C6H9NO.C6H12.C6H14.2C5H10O/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;1-6-4-2-3-5-6;1-4-6(3)5-2;2*1-5-2-3-6-4-5/h4H2,1-3H3;4-5H,3H2,1-2H3;1-3H3;6H,2-5H2,1H3;6H,4-5H2,1-3H3;2*5H,2-4H2,1H3
InChIKeyGNVHONSMETZWSP-UHFFFAOYSA-N
XLogP11.39
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.08
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCCC1.CC1CCOC1.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;methylcyclopentane;bis(3-methyloxolane);3-methylpentane;3,4,5-trimethyl-1,2-oxazole?
The InChIKey is GNVHONSMETZWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C6H10N2.C6H9NO.C6H12.C6H14.2C5H10O/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;1-6-4-2-3-5-6;1-4-6(3)5-2;2*1-5-2-3-6-4-5/h4H2,1-3H3;4-5H,3H2,1-2H3;1-3H3;6H,2-5H2,1H3;6H,4-5H2,1-3H3;2*5H,2-4H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 689.08 g/mol, XLogP of 11.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158312352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).