4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole

C20H34N2O2 — CID 85266336

IUPAC4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(C2(C3=NC(C(C)(C)C)CO3)CCCCC2)=N1
InChIInChI=1S/C20H34N2O2/c1-18(2,3)14-12-23-16(21-14)20(10-8-7-9-11-20)17-22-15(13-24-17)19(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyFKMZKCPMCVOKEV-UHFFFAOYSA-N
MW334.50 g/mol
LogP4.62
Rot. Bonds2

About 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole

4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole (PubChem CID 85266336) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole
PubChem CID85266336
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(C2(C3=NC(C(C)(C)C)CO3)CCCCC2)=N1
InChIInChI=1S/C20H34N2O2/c1-18(2,3)14-12-23-16(21-14)20(10-8-7-9-11-20)17-22-15(13-24-17)19(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyFKMZKCPMCVOKEV-UHFFFAOYSA-N
XLogP4.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole (CID 85266336) is 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)C1COC(C2(C3=NC(C(C)(C)C)CO3)CCCCC2)=N1.
What is the InChIKey of 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is FKMZKCPMCVOKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-18(2,3)14-12-23-16(21-14)20(10-8-7-9-11-20)17-22-15(13-24-17)19(4,5)6/h14-15H,7-13H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole?
4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 334.50 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 85266336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).