3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole

C16H19FN2O — CID 75204034

IUPAC3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole
SMILESFc1ccc(-c2nocc2CCN2CCCCC2)cc1
InChIInChI=1S/C16H19FN2O/c17-15-6-4-13(5-7-15)16-14(12-20-18-16)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2
InChIKeyUOMSXDOYCIQIAP-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.51
Rot. Bonds4

About 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole

3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole (PubChem CID 75204034) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole
PubChem CID75204034
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole
SMILESFc1ccc(-c2nocc2CCN2CCCCC2)cc1
InChIInChI=1S/C16H19FN2O/c17-15-6-4-13(5-7-15)16-14(12-20-18-16)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2
InChIKeyUOMSXDOYCIQIAP-UHFFFAOYSA-N
XLogP3.51
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride
CID 118289521
1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
CID 75204033
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 71839759
4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
CID 21256782
N-[(4-chlorophenyl)methyl]-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 71839779
4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride
CID 21394603
1-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4286535
4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
CID 110180089
3-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42581866
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide
CID 22221388
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride
CID 142694106

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole (CID 75204034) is 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole is Fc1ccc(-c2nocc2CCN2CCCCC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole?
The InChIKey is UOMSXDOYCIQIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-15-6-4-13(5-7-15)16-14(12-20-18-16)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2.
What are the key properties of 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole?
3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole has a molecular weight of 274.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole is sourced from PubChem (CID 75204034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).