2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole

C13H22N2O — CID 71869638

IUPAC2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CCCCCCC2)o1
InChIInChI=1S/C13H22N2O/c1-2-12-10-14-13(16-12)11-15-8-6-4-3-5-7-9-15/h10H,2-9,11H2,1H3
InChIKeyCYGMWZWURLXVQH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.00
Rot. Bonds3

About 2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole

2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole (PubChem CID 71869638) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole
PubChem CID71869638
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CCCCCCC2)o1
InChIInChI=1S/C13H22N2O/c1-2-12-10-14-13(16-12)11-15-8-6-4-3-5-7-9-15/h10H,2-9,11H2,1H3
InChIKeyCYGMWZWURLXVQH-UHFFFAOYSA-N
XLogP3.00
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole?
The IUPAC name of 2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole (CID 71869638) is 2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole is CCc1cnc(CN2CCCCCCC2)o1.
What is the InChIKey of 2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole?
The InChIKey is CYGMWZWURLXVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-12-10-14-13(16-12)11-15-8-6-4-3-5-7-9-15/h10H,2-9,11H2,1H3.
What are the key properties of 2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole?
2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole has a molecular weight of 222.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-ylmethyl)-5-ethyl-1,3-oxazole is sourced from PubChem (CID 71869638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).