2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole

C13H23NO — CID 174514058

IUPAC2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCC1(C2=NCCO2)CCCCC1
InChIInChI=1S/C13H23NO/c1-2-3-7-13(8-5-4-6-9-13)12-14-10-11-15-12/h2-11H2,1H3
InChIKeyZIXTUHPLBOLJTD-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.56
Rot. Bonds4

About 2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole

2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole (PubChem CID 174514058) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole
PubChem CID174514058
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCC1(C2=NCCO2)CCCCC1
InChIInChI=1S/C13H23NO/c1-2-3-7-13(8-5-4-6-9-13)12-14-10-11-15-12/h2-11H2,1H3
InChIKeyZIXTUHPLBOLJTD-UHFFFAOYSA-N
XLogP3.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole (CID 174514058) is 2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole is CCCCC1(C2=NCCO2)CCCCC1.
What is the InChIKey of 2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ZIXTUHPLBOLJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-7-13(8-5-4-6-9-13)12-14-10-11-15-12/h2-11H2,1H3.
What are the key properties of 2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole?
2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 209.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylcyclohexyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 174514058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).