4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide

C24H29ClN4O2 — CID 55854782

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide
SMILESCCN(CC)Cc1cccc(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C24H29ClN4O2/c1-3-29(4-2)17-19-8-5-7-18(15-19)16-26-22(30)9-6-10-23-27-24(28-31-23)20-11-13-21(25)14-12-20/h5,7-8,11-15H,3-4,6,9-10,16-17H2,1-2H3,(H,26,30)
InChIKeyHKRLCIKRZGTJOR-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.87
Rot. Bonds11

About 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide (PubChem CID 55854782) 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-[[3-(diethylaminomethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide
PubChem CID55854782
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide
SMILESCCN(CC)Cc1cccc(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C24H29ClN4O2/c1-3-29(4-2)17-19-8-5-7-18(15-19)16-26-22(30)9-6-10-23-27-24(28-31-23)20-11-13-21(25)14-12-20/h5,7-8,11-15H,3-4,6,9-10,16-17H2,1-2H3,(H,26,30)
InChIKeyHKRLCIKRZGTJOR-UHFFFAOYSA-N
XLogP4.87
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 46450541
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
CID 78866247
N-[3-(diethylaminomethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 38747951
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]propanamide
CID 86805920
N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 50984487
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18118904
N-[(4-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31064361
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide
CID 55648302
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-phenylbutanamide
CID 17101498
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 55919632

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide (CID 55854782) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide is CCN(CC)Cc1cccc(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide?
The InChIKey is HKRLCIKRZGTJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-3-29(4-2)17-19-8-5-7-18(15-19)16-26-22(30)9-6-10-23-27-24(28-31-23)20-11-13-21(25)14-12-20/h5,7-8,11-15H,3-4,6,9-10,16-17H2,1-2H3,(H,26,30).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide has a molecular weight of 440.98 g/mol, XLogP of 4.87, 11 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-[[3-(diethylaminomethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 55854782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).