[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C18H17FN4O2 — CID 95382971

IUPAC[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2F)on1)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C18H17FN4O2/c19-15-7-2-1-6-14(15)17-11-16(21-25-17)18(24)22-9-3-5-13(12-22)23-10-4-8-20-23/h1-2,4,6-8,10-11,13H,3,5,9,12H2/t13-/m0/s1
InChIKeyBFRONYSHWCDHAX-ZDUSSCGKSA-N
MW340.36 g/mol
LogP3.15
Rot. Bonds3

About [5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95382971) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95382971
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2F)on1)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C18H17FN4O2/c19-15-7-2-1-6-14(15)17-11-16(21-25-17)18(24)22-9-3-5-13(12-22)23-10-4-8-20-23/h1-2,4,6-8,10-11,13H,3,5,9,12H2/t13-/m0/s1
InChIKeyBFRONYSHWCDHAX-ZDUSSCGKSA-N
XLogP3.15
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95280828
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95302784
(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281714
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate
CID 110472446
(5-bromothiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158101
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283
1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95283135
3-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95309669
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286307

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95382971) is [5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is O=C(c1cc(-c2ccccc2F)on1)N1CCC[C@H](n2cccn2)C1.
What is the InChIKey of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is BFRONYSHWCDHAX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-15-7-2-1-6-14(15)17-11-16(21-25-17)18(24)22-9-3-5-13(12-22)23-10-4-8-20-23/h1-2,4,6-8,10-11,13H,3,5,9,12H2/t13-/m0/s1.
What are the key properties of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 340.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95382971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).