tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate

C20H33NO3 — CID 141041346

IUPACtert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate
SMILESCc1cnc([C@H](CCCC2CCCCC2)CC(=O)OC(C)(C)C)o1
InChIInChI=1S/C20H33NO3/c1-15-14-21-19(23-15)17(13-18(22)24-20(2,3)4)12-8-11-16-9-6-5-7-10-16/h14,16-17H,5-13H2,1-4H3/t17-/m1/s1
InChIKeyFYUJYWDNKWAMDZ-QGZVFWFLSA-N
MW335.49 g/mol
LogP5.55
Rot. Bonds7

About tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate

tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate (PubChem CID 141041346) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate.

Molecular Properties

Compound Nametert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate
PubChem CID141041346
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Nametert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate
SMILESCc1cnc([C@H](CCCC2CCCCC2)CC(=O)OC(C)(C)C)o1
InChIInChI=1S/C20H33NO3/c1-15-14-21-19(23-15)17(13-18(22)24-20(2,3)4)12-8-11-16-9-6-5-7-10-16/h14,16-17H,5-13H2,1-4H3/t17-/m1/s1
InChIKeyFYUJYWDNKWAMDZ-QGZVFWFLSA-N
XLogP5.55
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate?
The IUPAC name of tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate (CID 141041346) is tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate.
What is the SMILES notation for tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate?
The canonical SMILES for tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate is Cc1cnc([C@H](CCCC2CCCCC2)CC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate?
The InChIKey is FYUJYWDNKWAMDZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33NO3/c1-15-14-21-19(23-15)17(13-18(22)24-20(2,3)4)12-8-11-16-9-6-5-7-10-16/h14,16-17H,5-13H2,1-4H3/t17-/m1/s1.
What are the key properties of tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate?
tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate has a molecular weight of 335.49 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate is sourced from PubChem (CID 141041346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).