1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one

C12H21NO2 — CID 15192473

IUPAC1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one
SMILESCCCCC(=O)C1=NOC(CCCC)C1
InChIInChI=1S/C12H21NO2/c1-3-5-7-10-9-11(13-15-10)12(14)8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyFLGAUYLCBOYEKZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.08
Rot. Bonds7

About 1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one

1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one (PubChem CID 15192473) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one
PubChem CID15192473
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one
SMILESCCCCC(=O)C1=NOC(CCCC)C1
InChIInChI=1S/C12H21NO2/c1-3-5-7-10-9-11(13-15-10)12(14)8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyFLGAUYLCBOYEKZ-UHFFFAOYSA-N
XLogP3.08
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one?
The IUPAC name of 1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one (CID 15192473) is 1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one.
What is the SMILES notation for 1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one?
The canonical SMILES for 1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one is CCCCC(=O)C1=NOC(CCCC)C1.
What is the InChIKey of 1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one?
The InChIKey is FLGAUYLCBOYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-5-7-10-9-11(13-15-10)12(14)8-6-4-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one?
1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one has a molecular weight of 211.30 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one is sourced from PubChem (CID 15192473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).