[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone

C18H17FN4O3 — CID 68933445

IUPAC[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1nocc1C(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C18H17FN4O3/c1-11-15(10-25-21-11)18(24)23-8-2-3-13(9-23)17-20-16(22-26-17)12-4-6-14(19)7-5-12/h4-7,10,13H,2-3,8-9H2,1H3
InChIKeyINEGTVJXINDDTL-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.19
Rot. Bonds3

About [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone

[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 68933445) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
PubChem CID68933445
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1nocc1C(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C18H17FN4O3/c1-11-15(10-25-21-11)18(24)23-8-2-3-13(9-23)17-20-16(22-26-17)12-4-6-14(19)7-5-12/h4-7,10,13H,2-3,8-9H2,1H3
InChIKeyINEGTVJXINDDTL-UHFFFAOYSA-N
XLogP3.19
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(2,4-difluorophenyl)-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1453775
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 15947762
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone
CID 68925735
2-ethyl-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 1453889
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1454031
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3225906
[4-(aminomethyl)phenyl]-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 119313758

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone (CID 68933445) is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone is Cc1nocc1C(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is INEGTVJXINDDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-11-15(10-25-21-11)18(24)23-8-2-3-13(9-23)17-20-16(22-26-17)12-4-6-14(19)7-5-12/h4-7,10,13H,2-3,8-9H2,1H3.
What are the key properties of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 356.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 68933445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).