[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone

C16H19FN2O2 — CID 3235728

IUPAC[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
InChIInChI=1S/C16H19FN2O2/c1-11-6-8-19(9-7-11)16(20)15-10-14(18-21-15)12-2-4-13(17)5-3-12/h2-5,11,15H,6-10H2,1H3
InChIKeyQCIIEWDBHSLYJI-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.58
Rot. Bonds2

About [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone

[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 3235728) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID3235728
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
InChIInChI=1S/C16H19FN2O2/c1-11-6-8-19(9-7-11)16(20)15-10-14(18-21-15)12-2-4-13(17)5-3-12/h2-5,11,15H,6-10H2,1H3
InChIKeyQCIIEWDBHSLYJI-UHFFFAOYSA-N
XLogP2.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2-methylpiperidine
CID 3238468
(4-Ethylpiperazino)[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methanone
CID 5308889
(4-Benzylpiperazin-1-yl)[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 5309483
1-{[3-(2-Chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-4-methylpiperazine
CID 2962184
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2,6-dimethylpiperidine
CID 3236925
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}piperidine
CID 3241252
N-butyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681849
3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681858
N-propyl-3-[4-(trifluoromethyl)phenyl]-2-isoxazoline-5-carboxamide
CID 16745467
N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16745472
3-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dibutylamino)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 23640770
N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 4897826

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 3235728) is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QCIIEWDBHSLYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11-6-8-19(9-7-11)16(20)15-10-14(18-21-15)12-2-4-13(17)5-3-12/h2-5,11,15H,6-10H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 290.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3235728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).