3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde

C14H14FN3O2 — CID 132649682

IUPAC3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde
SMILESO=CN1CCCC(c2nnc(-c3ccccc3F)o2)C1
InChIInChI=1S/C14H14FN3O2/c15-12-6-2-1-5-11(12)14-17-16-13(20-14)10-4-3-7-18(8-10)9-19/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyRILQICOZWDQFOU-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.21
Rot. Bonds3

About 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde

3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde (PubChem CID 132649682) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde
PubChem CID132649682
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde
SMILESO=CN1CCCC(c2nnc(-c3ccccc3F)o2)C1
InChIInChI=1S/C14H14FN3O2/c15-12-6-2-1-5-11(12)14-17-16-13(20-14)10-4-3-7-18(8-10)9-19/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyRILQICOZWDQFOU-UHFFFAOYSA-N
XLogP2.21
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199
1-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99964051
1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963593
[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 132652159
cyclopropyl-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615760
2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 75615647
2-[(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 99963554
(3R)-3-[5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde
CID 99964102
2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615658
2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137666
(3,4-dimethoxyphenyl)-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137765
2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137659

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde (CID 132649682) is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde is O=CN1CCCC(c2nnc(-c3ccccc3F)o2)C1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde?
The InChIKey is RILQICOZWDQFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-12-6-2-1-5-11(12)14-17-16-13(20-14)10-4-3-7-18(8-10)9-19/h1-2,5-6,9-10H,3-4,7-8H2.
What are the key properties of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde?
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde has a molecular weight of 275.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 132649682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).