4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide

C24H29ClN4O2 — CID 55648302

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide
SMILESCCc1ccc(C(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)N(C)C)cc1
InChIInChI=1S/C24H29ClN4O2/c1-4-17-8-10-18(11-9-17)21(29(2)3)16-26-22(30)6-5-7-23-27-24(28-31-23)19-12-14-20(25)15-13-19/h8-15,21H,4-7,16H2,1-3H3,(H,26,30)
InChIKeyRBHQMZDUNPUOQE-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.69
Rot. Bonds10

About 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide (PubChem CID 55648302) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide
PubChem CID55648302
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide
SMILESCCc1ccc(C(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)N(C)C)cc1
InChIInChI=1S/C24H29ClN4O2/c1-4-17-8-10-18(11-9-17)21(29(2)3)16-26-22(30)6-5-7-23-27-24(28-31-23)19-12-14-20(25)15-13-19/h8-15,21H,4-7,16H2,1-3H3,(H,26,30)
InChIKeyRBHQMZDUNPUOQE-UHFFFAOYSA-N
XLogP4.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24640199
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
CID 78866247
N-[(4-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31064361
N-(3-aminobutyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119495720
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 55919632
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55648348
7-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
CID 46190755
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide
CID 120828775
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 55649353
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide
CID 55854782
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide (CID 55648302) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide is CCc1ccc(C(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)N(C)C)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide?
The InChIKey is RBHQMZDUNPUOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-4-17-8-10-18(11-9-17)21(29(2)3)16-26-22(30)6-5-7-23-27-24(28-31-23)19-12-14-20(25)15-13-19/h8-15,21H,4-7,16H2,1-3H3,(H,26,30).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide has a molecular weight of 440.98 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide is sourced from PubChem (CID 55648302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).