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

C14H17FN2O — CID 115061919

IUPAC4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(C2COC(C3CCCCN3)=N2)c1
InChIInChI=1S/C14H17FN2O/c15-11-5-3-4-10(8-11)13-9-18-14(17-13)12-6-1-2-7-16-12/h3-5,8,12-13,16H,1-2,6-7,9H2
InChIKeyUMTVVJRRUIYUOD-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.44
Rot. Bonds2

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

4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 115061919) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID115061919
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(C2COC(C3CCCCN3)=N2)c1
InChIInChI=1S/C14H17FN2O/c15-11-5-3-4-10(8-11)13-9-18-14(17-13)12-6-1-2-7-16-12/h3-5,8,12-13,16H,1-2,6-7,9H2
InChIKeyUMTVVJRRUIYUOD-UHFFFAOYSA-N
XLogP2.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol
CID 115061922
4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061779
4-(2-methoxyphenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061930
[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone
CID 146229723
2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 115061824
(2S)-2-phenylpiperidine
CID 10997356
4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole
CID 115038784
(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine
CID 51884033
2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 115061939
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole (CID 115061919) is 4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole is Fc1cccc(C2COC(C3CCCCN3)=N2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is UMTVVJRRUIYUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-11-5-3-4-10(8-11)13-9-18-14(17-13)12-6-1-2-7-16-12/h3-5,8,12-13,16H,1-2,6-7,9H2.
What are the key properties of 4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole?
4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 248.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).