2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C22H23ClN4O2 — CID 95099867

IUPAC2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1nnc(N2CCCCC2)o1
InChIInChI=1S/C22H23ClN4O2/c23-18-11-9-16(10-12-18)15-19(28)24-20(17-7-3-1-4-8-17)21-25-26-22(29-21)27-13-5-2-6-14-27/h1,3-4,7-12,20H,2,5-6,13-15H2,(H,24,28)/t20-/m0/s1
InChIKeyGSHDSTBDCVGZJL-FQEVSTJZSA-N
MW410.91 g/mol
LogP4.16
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 95099867) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID95099867
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1nnc(N2CCCCC2)o1
InChIInChI=1S/C22H23ClN4O2/c23-18-11-9-16(10-12-18)15-19(28)24-20(17-7-3-1-4-8-17)21-25-26-22(29-21)27-13-5-2-6-14-27/h1,3-4,7-12,20H,2,5-6,13-15H2,(H,24,28)/t20-/m0/s1
InChIKeyGSHDSTBDCVGZJL-FQEVSTJZSA-N
XLogP4.16
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 53159671
2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 95099875
2-(4-chlorophenyl)-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92895345
2,5-difluoro-N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099906
N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclobutanecarboxamide
CID 95099882
2-methyl-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159686
3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159657
2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099799
2-bromo-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159583
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 28997526
3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159662
2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099897

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 95099867) is 2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is O=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1nnc(N2CCCCC2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is GSHDSTBDCVGZJL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-18-11-9-16(10-12-18)15-19(28)24-20(17-7-3-1-4-8-17)21-25-26-22(29-21)27-13-5-2-6-14-27/h1,3-4,7-12,20H,2,5-6,13-15H2,(H,24,28)/t20-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 410.91 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 95099867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).