N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine

C20H21FN4O2 — CID 133330879

IUPACN-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
SMILESCOc1cccc(-c2noc(N3CCC(Nc4ccccc4F)CC3)n2)c1
InChIInChI=1S/C20H21FN4O2/c1-26-16-6-4-5-14(13-16)19-23-20(27-24-19)25-11-9-15(10-12-25)22-18-8-3-2-7-17(18)21/h2-8,13,15,22H,9-12H2,1H3
InChIKeyRVPCUBLHCWIATL-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.97
Rot. Bonds5

About N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine

N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine (PubChem CID 133330879) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
PubChem CID133330879
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
SMILESCOc1cccc(-c2noc(N3CCC(Nc4ccccc4F)CC3)n2)c1
InChIInChI=1S/C20H21FN4O2/c1-26-16-6-4-5-14(13-16)19-23-20(27-24-19)25-11-9-15(10-12-25)22-18-8-3-2-7-17(18)21/h2-8,13,15,22H,9-12H2,1H3
InChIKeyRVPCUBLHCWIATL-UHFFFAOYSA-N
XLogP3.97
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133445479
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 133446278
5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133344398
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519639
3-(3-methoxyphenyl)-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-oxadiazol-5-amine
CID 133319922
5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 75422616
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43519239
4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 133322362
N-(2-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519629
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine (CID 133330879) is N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine is COc1cccc(-c2noc(N3CCC(Nc4ccccc4F)CC3)n2)c1.
What is the InChIKey of N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The InChIKey is RVPCUBLHCWIATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-26-16-6-4-5-14(13-16)19-23-20(27-24-19)25-11-9-15(10-12-25)22-18-8-3-2-7-17(18)21/h2-8,13,15,22H,9-12H2,1H3.
What are the key properties of N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine has a molecular weight of 368.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine is sourced from PubChem (CID 133330879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).