(5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole

C15H28FNO — CID 101334638

IUPAC(5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
SMILESCCCCCCCCC[C@@H](F)[C@H]1CC(CC)=NO1
InChIInChI=1S/C15H28FNO/c1-3-5-6-7-8-9-10-11-14(16)15-12-13(4-2)17-18-15/h14-15H,3-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyIJGIYWUXFNCKPC-HUUCEWRRSA-N
MW257.39 g/mol
LogP5.02
Rot. Bonds10

About (5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole

(5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole (PubChem CID 101334638) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is (5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
PubChem CID101334638
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name(5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
SMILESCCCCCCCCC[C@@H](F)[C@H]1CC(CC)=NO1
InChIInChI=1S/C15H28FNO/c1-3-5-6-7-8-9-10-11-14(16)15-12-13(4-2)17-18-15/h14-15H,3-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyIJGIYWUXFNCKPC-HUUCEWRRSA-N
XLogP5.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-pentyl-5,6-dihydro-4H-oxazine
CID 13789900
5-Methyl-3-pentyl-4,5-dihydro-1,2-oxazole
CID 23396999
5-Hexyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 12794211
3,5-Dibutyl-4,5-dihydro-1,2-oxazole
CID 121216456
5-Methyl-3-octyl-4,5-dihydro-1,2-oxazole
CID 164671064
(5R)-3-ethyl-5-[(1S)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
CID 101334639
3-pentyl-5,6-dihydro-4H-oxazine
CID 13789891
3-Methyl-5-pentyl-4,5-dihydro-1,2-oxazole
CID 13165515
3-Methyl-5-butylisoxazoline
CID 13358884
N-dodecoxypropan-2-imine
CID 13454287
3-Ethyl-5-octyl-4,5-dihydro-1,2-oxazole
CID 13781460
5-Methyl-3-propyl-4,5-dihydro-1,2-oxazole
CID 23397000

Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole (CID 101334638) is (5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole is CCCCCCCCC[C@@H](F)[C@H]1CC(CC)=NO1.
What is the InChIKey of (5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is IJGIYWUXFNCKPC-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H28FNO/c1-3-5-6-7-8-9-10-11-14(16)15-12-13(4-2)17-18-15/h14-15H,3-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole?
(5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 257.39 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 101334638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).