5-(cyclohexylidenemethyl)-1,2-oxazole

C10H13NO — CID 14020689

IUPAC5-(cyclohexylidenemethyl)-1,2-oxazole
SMILESC(=C1CCCCC1)c1ccno1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h6-8H,1-5H2
InChIKeyMGLIVPAAZKDLAB-UHFFFAOYSA-N
MW163.22 g/mol
LogP3.02
Rot. Bonds1

About 5-(cyclohexylidenemethyl)-1,2-oxazole

5-(cyclohexylidenemethyl)-1,2-oxazole (PubChem CID 14020689) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-(cyclohexylidenemethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(cyclohexylidenemethyl)-1,2-oxazole
PubChem CID14020689
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-(cyclohexylidenemethyl)-1,2-oxazole
SMILESC(=C1CCCCC1)c1ccno1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h6-8H,1-5H2
InChIKeyMGLIVPAAZKDLAB-UHFFFAOYSA-N
XLogP3.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylidenemethyl)-1,2-oxazole?
The IUPAC name of 5-(cyclohexylidenemethyl)-1,2-oxazole (CID 14020689) is 5-(cyclohexylidenemethyl)-1,2-oxazole.
What is the SMILES notation for 5-(cyclohexylidenemethyl)-1,2-oxazole?
The canonical SMILES for 5-(cyclohexylidenemethyl)-1,2-oxazole is C(=C1CCCCC1)c1ccno1.
What is the InChIKey of 5-(cyclohexylidenemethyl)-1,2-oxazole?
The InChIKey is MGLIVPAAZKDLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h6-8H,1-5H2.
What are the key properties of 5-(cyclohexylidenemethyl)-1,2-oxazole?
5-(cyclohexylidenemethyl)-1,2-oxazole has a molecular weight of 163.22 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylidenemethyl)-1,2-oxazole is sourced from PubChem (CID 14020689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).