3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide

C24H27ClN4O3 — CID 51966527

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCc1ccc([C@H](CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)N2CCOCC2)cc1
InChIInChI=1S/C24H27ClN4O3/c1-17-2-4-18(5-3-17)21(29-12-14-31-15-13-29)16-26-22(30)10-11-23-27-24(28-32-23)19-6-8-20(25)9-7-19/h2-9,21H,10-16H2,1H3,(H,26,30)/t21-/m0/s1
InChIKeySBVFCJRRYGVMBX-NRFANRHFSA-N
MW454.96 g/mol
LogP3.82
Rot. Bonds8

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 51966527) 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-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID51966527
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCc1ccc([C@H](CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)N2CCOCC2)cc1
InChIInChI=1S/C24H27ClN4O3/c1-17-2-4-18(5-3-17)21(29-12-14-31-15-13-29)16-26-22(30)10-11-23-27-24(28-32-23)19-6-8-20(25)9-7-19/h2-9,21H,10-16H2,1H3,(H,26,30)/t21-/m0/s1
InChIKeySBVFCJRRYGVMBX-NRFANRHFSA-N
XLogP3.82
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24544204
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
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 55925379
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46493557
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide
CID 120828775
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide (CID 51966527) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide is Cc1ccc([C@H](CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)N2CCOCC2)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is SBVFCJRRYGVMBX-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-17-2-4-18(5-3-17)21(29-12-14-31-15-13-29)16-26-22(30)10-11-23-27-24(28-32-23)19-6-8-20(25)9-7-19/h2-9,21H,10-16H2,1H3,(H,26,30)/t21-/m0/s1.
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 454.96 g/mol, XLogP of 3.82, 8 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-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 51966527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).