[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone

C17H19FN2O2 — CID 95556318

IUPAC[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCC[C@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN2O2/c18-15-7-5-13(6-8-15)3-4-14-2-1-10-20(12-14)17(21)16-9-11-22-19-16/h5-9,11,14H,1-4,10,12H2/t14-/m1/s1
InChIKeySKMAWJZGWRWARO-CQSZACIVSA-N
MW302.35 g/mol
LogP3.30
Rot. Bonds4

About [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone

[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 95556318) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID95556318
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCC[C@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN2O2/c18-15-7-5-13(6-8-15)3-4-14-2-1-10-20(12-14)17(21)16-9-11-22-19-16/h5-9,11,14H,1-4,10,12H2/t14-/m1/s1
InChIKeySKMAWJZGWRWARO-CQSZACIVSA-N
XLogP3.30
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-1,2-oxazol-3-yl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550158
[3-(2-hydroxyethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 62355750
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56880036
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964
1-[5-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56877097
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 95401226
[1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95402752
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95542975

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone (CID 95556318) is [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone is O=C(c1ccon1)N1CCC[C@H](CCc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is SKMAWJZGWRWARO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-15-7-5-13(6-8-15)3-4-14-2-1-10-20(12-14)17(21)16-9-11-22-19-16/h5-9,11,14H,1-4,10,12H2/t14-/m1/s1.
What are the key properties of [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 302.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 95556318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).