2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C19H19FN4O — CID 95849716

IUPAC2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1ccccc1CN1CCC[C@@H](c2nnc(-c3ccncc3)o2)C1
InChIInChI=1S/C19H19FN4O/c20-17-6-2-1-4-15(17)12-24-11-3-5-16(13-24)19-23-22-18(25-19)14-7-9-21-10-8-14/h1-2,4,6-10,16H,3,5,11-13H2/t16-/m1/s1
InChIKeyDSOYQMFWYPKGQE-MRXNPFEDSA-N
MW338.39 g/mol
LogP3.65
Rot. Bonds4

About 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 95849716) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID95849716
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1ccccc1CN1CCC[C@@H](c2nnc(-c3ccncc3)o2)C1
InChIInChI=1S/C19H19FN4O/c20-17-6-2-1-4-15(17)12-24-11-3-5-16(13-24)19-23-22-18(25-19)14-7-9-21-10-8-14/h1-2,4,6-10,16H,3,5,11-13H2/t16-/m1/s1
InChIKeyDSOYQMFWYPKGQE-MRXNPFEDSA-N
XLogP3.65
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 110243014
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 110236060
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92572835
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881151
2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 75615431
2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598727
2-cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137304

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 95849716) is 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is Fc1ccccc1CN1CCC[C@@H](c2nnc(-c3ccncc3)o2)C1.
What is the InChIKey of 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is DSOYQMFWYPKGQE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-17-6-2-1-4-15(17)12-24-11-3-5-16(13-24)19-23-22-18(25-19)14-7-9-21-10-8-14/h1-2,4,6-10,16H,3,5,11-13H2/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 338.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 95849716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).