N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide

C25H29ClN4O3 — CID 42809096

IUPACN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CCCN2CCOCC2)CCc2nc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C25H29ClN4O3/c1-19-6-8-20(9-7-19)25(31)30(12-3-11-29-14-16-32-17-15-29)13-10-23-27-24(28-33-23)21-4-2-5-22(26)18-21/h2,4-9,18H,3,10-17H2,1H3
InChIKeyCONJBSDXTKHKNM-UHFFFAOYSA-N
MW468.99 g/mol
LogP4.11
Rot. Bonds9

About N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide

N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 42809096) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID42809096
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC NameN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CCCN2CCOCC2)CCc2nc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C25H29ClN4O3/c1-19-6-8-20(9-7-19)25(31)30(12-3-11-29-14-16-32-17-15-29)13-10-23-27-24(28-33-23)21-4-2-5-22(26)18-21/h2,4-9,18H,3,10-17H2,1H3
InChIKeyCONJBSDXTKHKNM-UHFFFAOYSA-N
XLogP4.11
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111588298
4-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
CID 154631723
4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine
CID 154393200
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111612518
4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
CID 154631714
4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 42808968
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide
CID 83277422
4-methyl-N-(2-methylpropyl)-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83288824
(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
CID 119788016
3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 165350684
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methylpropyl)-3-nitrobenzamide
CID 83280213
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 71931147

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide (CID 42809096) is N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide is Cc1ccc(C(=O)N(CCCN2CCOCC2)CCc2nc(-c3cccc(Cl)c3)no2)cc1.
What is the InChIKey of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is CONJBSDXTKHKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-19-6-8-20(9-7-19)25(31)30(12-3-11-29-14-16-32-17-15-29)13-10-23-27-24(28-33-23)21-4-2-5-22(26)18-21/h2,4-9,18H,3,10-17H2,1H3.
What are the key properties of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 468.99 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 42809096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).