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

C19H18N4O2 — CID 163480894

IUPAC2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1c1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C19H18N4O2/c24-13-23-12-2-1-3-17(23)14-4-6-16(7-5-14)19-21-18(22-25-19)15-8-10-20-11-9-15/h4-11,13,17H,1-3,12H2
InChIKeyCEKJVPPNIXZIHP-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.48
Rot. Bonds4

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

2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde (PubChem CID 163480894) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde
PubChem CID163480894
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1c1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C19H18N4O2/c24-13-23-12-2-1-3-17(23)14-4-6-16(7-5-14)19-21-18(22-25-19)15-8-10-20-11-9-15/h4-11,13,17H,1-3,12H2
InChIKeyCEKJVPPNIXZIHP-UHFFFAOYSA-N
XLogP3.48
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 143910207
3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 50769405
5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191879
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
pyrazin-2-yl-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192003
2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid
CID 54069668
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769912
cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 164634616
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 46698938
1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 56770168

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde?
The IUPAC name of 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde (CID 163480894) is 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde?
The canonical SMILES for 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde is O=CN1CCCCC1c1ccc(-c2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde?
The InChIKey is CEKJVPPNIXZIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-13-23-12-2-1-3-17(23)14-4-6-16(7-5-14)19-21-18(22-25-19)15-8-10-20-11-9-15/h4-11,13,17H,1-3,12H2.
What are the key properties of 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde?
2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde has a molecular weight of 334.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 163480894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).