1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

C20H20ClN3O3 — CID 138996722

IUPAC1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESO=C(CCc1nc(-c2ccco2)no1)N1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O3/c21-16-7-2-1-5-14(16)13-15-6-3-11-24(15)19(25)10-9-18-22-20(23-27-18)17-8-4-12-26-17/h1-2,4-5,7-8,12,15H,3,6,9-11,13H2
InChIKeyLTQKCPXERMBINP-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.15
Rot. Bonds6

About 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 138996722) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID138996722
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESO=C(CCc1nc(-c2ccco2)no1)N1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O3/c21-16-7-2-1-5-14(16)13-15-6-3-11-24(15)19(25)10-9-18-22-20(23-27-18)17-8-4-12-26-17/h1-2,4-5,7-8,12,15H,3,6,9-11,13H2
InChIKeyLTQKCPXERMBINP-UHFFFAOYSA-N
XLogP4.15
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 36702512
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 95573579
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 120738693
1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one
CID 95350150
4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 124699273
[2-(azocan-1-yl)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55554287
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 119648750
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2S)-2-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 95782667
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119471174
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 36747424
1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 92606131

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one (CID 138996722) is 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one is O=C(CCc1nc(-c2ccco2)no1)N1CCCC1Cc1ccccc1Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is LTQKCPXERMBINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-16-7-2-1-5-14(16)13-15-6-3-11-24(15)19(25)10-9-18-22-20(23-27-18)17-8-4-12-26-17/h1-2,4-5,7-8,12,15H,3,6,9-11,13H2.
What are the key properties of 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 385.85 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 138996722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).