[(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone

C17H18FN5O3 — CID 69128780

IUPAC[(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC[C@H](C2=CN(Oc3cccc(F)c3)NO2)C1
InChIInChI=1S/C17H18FN5O3/c18-13-4-1-5-14(7-13)26-23-10-16(25-21-23)12-3-2-6-22(9-12)17(24)15-8-19-11-20-15/h1,4-5,7-8,10-12,21H,2-3,6,9H2,(H,19,20)/t12-/m0/s1
InChIKeyPIILSZRICJITSZ-LBPRGKRZSA-N
MW359.36 g/mol
LogP1.99
Rot. Bonds4

About [(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone

[(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 69128780) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is [(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
PubChem CID69128780
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name[(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC[C@H](C2=CN(Oc3cccc(F)c3)NO2)C1
InChIInChI=1S/C17H18FN5O3/c18-13-4-1-5-14(7-13)26-23-10-16(25-21-23)12-3-2-6-22(9-12)17(24)15-8-19-11-20-15/h1,4-5,7-8,10-12,21H,2-3,6,9H2,(H,19,20)/t12-/m0/s1
InChIKeyPIILSZRICJITSZ-LBPRGKRZSA-N
XLogP1.99
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 69128453
(3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 159931430
fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone
CID 167484753
[(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 69108818
[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 42454203
[(3R)-3-(aminomethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 129371649
1-(1H-imidazole-5-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45230988
[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822353
[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95726991
ethane;1H-imidazol-5-yl(piperidin-1-yl)methanone
CID 142344786
[(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 141269924
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 90650929

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone (CID 69128780) is [(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)N1CCC[C@H](C2=CN(Oc3cccc(F)c3)NO2)C1.
What is the InChIKey of [(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is PIILSZRICJITSZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FN5O3/c18-13-4-1-5-14(7-13)26-23-10-16(25-21-23)12-3-2-6-22(9-12)17(24)15-8-19-11-20-15/h1,4-5,7-8,10-12,21H,2-3,6,9H2,(H,19,20)/t12-/m0/s1.
What are the key properties of [(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
[(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 359.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 69128780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).