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

C17H20FN3O2 — CID 51137665

IUPAC2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc([C@H]2CCN(C3CCOCC3)C2)o1
InChIInChI=1S/C17H20FN3O2/c18-15-4-2-1-3-14(15)17-20-19-16(23-17)12-5-8-21(11-12)13-6-9-22-10-7-13/h1-4,12-13H,5-11H2/t12-/m0/s1
InChIKeySKINQGDYEJVLMA-LBPRGKRZSA-N
MW317.36 g/mol
LogP2.84
Rot. Bonds3

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

2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137665) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137665
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc([C@H]2CCN(C3CCOCC3)C2)o1
InChIInChI=1S/C17H20FN3O2/c18-15-4-2-1-3-14(15)17-20-19-16(23-17)12-5-8-21(11-12)13-6-9-22-10-7-13/h1-4,12-13H,5-11H2/t12-/m0/s1
InChIKeySKINQGDYEJVLMA-LBPRGKRZSA-N
XLogP2.84
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentylpropyl)-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16188925
N-methyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-N-tetrahydropyran-4-yl-propionamide
CID 24791821
N-(4-fluorobenzyl)-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16187216
4-(5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidine
CID 2778957
4-Methyl-1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperidine
CID 16187253
N-[(1-cyclopentyl-4-piperidinyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16189053
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1-propyl-4-piperidinyl)propanamide
CID 16191390
1-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol
CID 38031021
2-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl-methylamino]ethanol
CID 38031047
3-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl-methylamino]propanenitrile
CID 38031054
2-(2-fluorophenyl)-5-[[(1S,4S,5S)-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
CID 38031062
N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-N-methylprop-2-yn-1-amine
CID 38031067

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137665) is 2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole is Fc1ccccc1-c1nnc([C@H]2CCN(C3CCOCC3)C2)o1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is SKINQGDYEJVLMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-15-4-2-1-3-14(15)17-20-19-16(23-17)12-5-8-21(11-12)13-6-9-22-10-7-13/h1-4,12-13H,5-11H2/t12-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 317.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).