5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole

C13H16FNO — CID 135041813

IUPAC5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESCCCCC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C13H16FNO/c1-2-3-4-12-9-13(15-16-12)10-5-7-11(14)8-6-10/h5-8,12H,2-4,9H2,1H3
InChIKeyZMXICNPRWWMLKO-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.51
Rot. Bonds4

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

5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 135041813) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID135041813
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESCCCCC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C13H16FNO/c1-2-3-4-12-9-13(15-16-12)10-5-7-11(14)8-6-10/h5-8,12H,2-4,9H2,1H3
InChIKeyZMXICNPRWWMLKO-UHFFFAOYSA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one oxime
CID 18462343
(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71449648
3-[4-fluoro-2-(trifluoromethyl)phenyl]-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,2]oxazole
CID 71456786
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, oxime
CID 57355301
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-ol
CID 13307489
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
(5S)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561971
(5S)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562089

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 135041813) is 5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is CCCCC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is ZMXICNPRWWMLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-2-3-4-12-9-13(15-16-12)10-5-7-11(14)8-6-10/h5-8,12H,2-4,9H2,1H3.
What are the key properties of 5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 221.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 135041813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).