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

C12H14N2O2 — CID 19601333

IUPAC2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole
SMILESc1coc(C2CCC(c3ncco3)CC2)n1
InChIInChI=1S/C12H14N2O2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h5-10H,1-4H2
InChIKeyCCHHCKRDWGOZHH-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.10
Rot. Bonds2

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

2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole (PubChem CID 19601333) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole
PubChem CID19601333
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole
SMILESc1coc(C2CCC(c3ncco3)CC2)n1
InChIInChI=1S/C12H14N2O2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h5-10H,1-4H2
InChIKeyCCHHCKRDWGOZHH-UHFFFAOYSA-N
XLogP3.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole?
The IUPAC name of 2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole (CID 19601333) is 2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole?
The canonical SMILES for 2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole is c1coc(C2CCC(c3ncco3)CC2)n1.
What is the InChIKey of 2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole?
The InChIKey is CCHHCKRDWGOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h5-10H,1-4H2.
What are the key properties of 2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole?
2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole has a molecular weight of 218.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-oxazol-2-yl)cyclohexyl]-1,3-oxazole is sourced from PubChem (CID 19601333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).