2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone

C20H19ClN4O2 — CID 90699754

IUPAC2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1nnc(-c2cc(Cl)cc(-c3cccnc3)c2)o1)N1CCCCC1
InChIInChI=1S/C20H19ClN4O2/c21-17-10-15(14-5-4-6-22-13-14)9-16(11-17)20-24-23-18(27-20)12-19(26)25-7-2-1-3-8-25/h4-6,9-11,13H,1-3,7-8,12H2
InChIKeyCWAKFFLBJAWFFS-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.01
Rot. Bonds4

About 2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone

2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone (PubChem CID 90699754) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone
PubChem CID90699754
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1nnc(-c2cc(Cl)cc(-c3cccnc3)c2)o1)N1CCCCC1
InChIInChI=1S/C20H19ClN4O2/c21-17-10-15(14-5-4-6-22-13-14)9-16(11-17)20-24-23-18(27-20)12-19(26)25-7-2-1-3-8-25/h4-6,9-11,13H,1-3,7-8,12H2
InChIKeyCWAKFFLBJAWFFS-UHFFFAOYSA-N
XLogP4.01
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330551
1-(3-methylpiperidin-1-yl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330418
2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 110371859
N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide
CID 89219989
1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25151776
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone
CID 171146437
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
CID 110333957
2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 53017502
1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
CID 75538435
1-[1-[2-[5-[3-chloro-5-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25151024
2-(2,4-dichlorophenoxy)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318700
2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone
CID 860955

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone (CID 90699754) is 2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone is O=C(Cc1nnc(-c2cc(Cl)cc(-c3cccnc3)c2)o1)N1CCCCC1.
What is the InChIKey of 2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is CWAKFFLBJAWFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-17-10-15(14-5-4-6-22-13-14)9-16(11-17)20-24-23-18(27-20)12-19(26)25-7-2-1-3-8-25/h4-6,9-11,13H,1-3,7-8,12H2.
What are the key properties of 2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone?
2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 382.85 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 90699754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).