3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

C24H27ClN4O3 — CID 24544204

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)N2CCCC2)cc1
InChIInChI=1S/C24H27ClN4O3/c1-31-20-10-6-17(7-11-20)21(29-14-2-3-15-29)16-26-22(30)12-13-23-27-24(28-32-23)18-4-8-19(25)9-5-18/h4-11,21H,2-3,12-16H2,1H3,(H,26,30)
InChIKeyRHEHHGGECKPGAN-UHFFFAOYSA-N
MW454.96 g/mol
LogP4.28
Rot. Bonds9

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 24544204) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID24544204
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)N2CCCC2)cc1
InChIInChI=1S/C24H27ClN4O3/c1-31-20-10-6-17(7-11-20)21(29-14-2-3-15-29)16-26-22(30)12-13-23-27-24(28-32-23)18-4-8-19(25)9-5-18/h4-11,21H,2-3,12-16H2,1H3,(H,26,30)
InChIKeyRHEHHGGECKPGAN-UHFFFAOYSA-N
XLogP4.28
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24638682
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43035277
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 51966527
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55623767
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55648348
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 42936730
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46493557
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 55925379
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 60551762
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31703237
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 24544204) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is COc1ccc(C(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)N2CCCC2)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is RHEHHGGECKPGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-31-20-10-6-17(7-11-20)21(29-14-2-3-15-29)16-26-22(30)12-13-23-27-24(28-32-23)18-4-8-19(25)9-5-18/h4-11,21H,2-3,12-16H2,1H3,(H,26,30).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 454.96 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 24544204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).