[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone

C16H19FN4O2 — CID 126834348

IUPAC[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(c3nnc(N)o3)CC2)cc(C)c1F
InChIInChI=1S/C16H19FN4O2/c1-9-7-12(8-10(2)13(9)17)15(22)21-5-3-11(4-6-21)14-19-20-16(18)23-14/h7-8,11H,3-6H2,1-2H3,(H2,18,20)
InChIKeyBLVQBKSROOQVDJ-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.43
Rot. Bonds2

About [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone

[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone (PubChem CID 126834348) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone
PubChem CID126834348
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(c3nnc(N)o3)CC2)cc(C)c1F
InChIInChI=1S/C16H19FN4O2/c1-9-7-12(8-10(2)13(9)17)15(22)21-5-3-11(4-6-21)14-19-20-16(18)23-14/h7-8,11H,3-6H2,1-2H3,(H2,18,20)
InChIKeyBLVQBKSROOQVDJ-UHFFFAOYSA-N
XLogP2.43
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539839
(3-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110423668
tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 95566122
(4-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963299
(4-chlorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 59347461
1-[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone
CID 71585924
[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone
CID 138055078
[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110421376
1-[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 146137650
methyl 4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzoate
CID 90539808
(3,5-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837745
(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 55160201

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone?
The IUPAC name of [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone (CID 126834348) is [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone.
What is the SMILES notation for [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone?
The canonical SMILES for [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone is Cc1cc(C(=O)N2CCC(c3nnc(N)o3)CC2)cc(C)c1F.
What is the InChIKey of [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone?
The InChIKey is BLVQBKSROOQVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-9-7-12(8-10(2)13(9)17)15(22)21-5-3-11(4-6-21)14-19-20-16(18)23-14/h7-8,11H,3-6H2,1-2H3,(H2,18,20).
What are the key properties of [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone?
[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone has a molecular weight of 318.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 126834348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).