[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone

C15H17FN2O2 — CID 3241252

IUPAC[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCCC1
InChIInChI=1S/C15H17FN2O2/c16-12-6-4-11(5-7-12)13-10-14(20-17-13)15(19)18-8-2-1-3-9-18/h4-7,14H,1-3,8-10H2
InChIKeyLSQRRBNPDLKJIM-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.33
Rot. Bonds2

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

[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 3241252) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
PubChem CID3241252
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCCC1
InChIInChI=1S/C15H17FN2O2/c16-12-6-4-11(5-7-12)13-10-14(20-17-13)15(19)18-8-2-1-3-9-18/h4-7,14H,1-3,8-10H2
InChIKeyLSQRRBNPDLKJIM-UHFFFAOYSA-N
XLogP2.33
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sMARt-420
CID 75593322
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
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-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 4897826
2-[3-(3-(2,4-Difluorophenyl)-4,5-dihydro-5-isoxazolyl]-1-(4-morpholinyl)ethanone
CID 59723793
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl](4-methylpiperidin-1-yl)methanone
CID 3235728

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (CID 3241252) is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCCC1.
What is the InChIKey of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is LSQRRBNPDLKJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-12-6-4-11(5-7-12)13-10-14(20-17-13)15(19)18-8-2-1-3-9-18/h4-7,14H,1-3,8-10H2.
What are the key properties of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 276.31 g/mol, XLogP of 2.33, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 3241252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).