1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone

C19H23ClN4O2 — CID 51137256

IUPAC1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-13(25)23-10-7-17(8-11-23)24-9-6-15(12-24)19-22-21-18(26-19)14-2-4-16(20)5-3-14/h2-5,15,17H,6-12H2,1H3/t15-/m0/s1
InChIKeyOFYAKYFBQOGHJX-HNNXBMFYSA-N
MW374.87 g/mol
LogP3.19
Rot. Bonds3

About 1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone

1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 51137256) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
PubChem CID51137256
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-13(25)23-10-7-17(8-11-23)24-9-6-15(12-24)19-22-21-18(26-19)14-2-4-16(20)5-3-14/h2-5,15,17H,6-12H2,1H3/t15-/m0/s1
InChIKeyOFYAKYFBQOGHJX-HNNXBMFYSA-N
XLogP3.19
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963730
2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137198
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963903
2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137295
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 58270792
(3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide
CID 51137817
pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137853
cyclohexyl-[3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615772
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 4605604
2-methoxy-1-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 51137734

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone (CID 51137256) is 1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)CC1.
What is the InChIKey of 1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is OFYAKYFBQOGHJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13(25)23-10-7-17(8-11-23)24-9-6-15(12-24)19-22-21-18(26-19)14-2-4-16(20)5-3-14/h2-5,15,17H,6-12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 374.87 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 51137256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).