2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

C20H27FN4O — CID 95721312

IUPAC2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(CN3CCCC[C@H]3CCN3CCCC3)o2)c1
InChIInChI=1S/C20H27FN4O/c21-17-7-5-6-16(14-17)20-23-22-19(26-20)15-25-12-2-1-8-18(25)9-13-24-10-3-4-11-24/h5-7,14,18H,1-4,8-13,15H2/t18-/m0/s1
InChIKeyWEMFKCPWJYUBRU-SFHVURJKSA-N
MW358.46 g/mol
LogP3.72
Rot. Bonds6

About 2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 95721312) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID95721312
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(CN3CCCC[C@H]3CCN3CCCC3)o2)c1
InChIInChI=1S/C20H27FN4O/c21-17-7-5-6-16(14-17)20-23-22-19(26-20)15-25-12-2-1-8-18(25)9-13-24-10-3-4-11-24/h5-7,14,18H,1-4,8-13,15H2/t18-/m0/s1
InChIKeyWEMFKCPWJYUBRU-SFHVURJKSA-N
XLogP3.72
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine
CID 95720641
2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95730107
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]methanol
CID 60684747
3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468153
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine
CID 115312862
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 62013763
2-(3-fluorophenyl)-5-[[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]methyl]-1,3,4-oxadiazole;formic acid
CID 171317086
4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 47025430
2-(4-fluorophenyl)-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609789
2-(azepan-1-ylmethyl)-5-(3-bromophenyl)-1,3,4-oxadiazole;hydrochloride
CID 126460668
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 56914593
methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate
CID 97333153

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 95721312) is 2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is Fc1cccc(-c2nnc(CN3CCCC[C@H]3CCN3CCCC3)o2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is WEMFKCPWJYUBRU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27FN4O/c21-17-7-5-6-16(14-17)20-23-22-19(26-20)15-25-12-2-1-8-18(25)9-13-24-10-3-4-11-24/h5-7,14,18H,1-4,8-13,15H2/t18-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 358.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95721312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).