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

C12H18N2O2 — CID 57224858

IUPAC2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESC1CCC(C2=NCCO2)(C2=NCCO2)CC1
InChIInChI=1S/C12H18N2O2/c1-2-4-12(5-3-1,10-13-6-8-15-10)11-14-7-9-16-11/h1-9H2
InChIKeyCPKIWACXECLVKL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.79
Rot. Bonds2

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

2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole (PubChem CID 57224858) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole
PubChem CID57224858
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESC1CCC(C2=NCCO2)(C2=NCCO2)CC1
InChIInChI=1S/C12H18N2O2/c1-2-4-12(5-3-1,10-13-6-8-15-10)11-14-7-9-16-11/h1-9H2
InChIKeyCPKIWACXECLVKL-UHFFFAOYSA-N
XLogP1.79
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole (CID 57224858) is 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole is C1CCC(C2=NCCO2)(C2=NCCO2)CC1.
What is the InChIKey of 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CPKIWACXECLVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-4-12(5-3-1,10-13-6-8-15-10)11-14-7-9-16-11/h1-9H2.
What are the key properties of 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole?
2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 222.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57224858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).