3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide

C22H23ClN4O3 — CID 55615243

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C22H23ClN4O3/c1-15-14-18(27-10-12-29-13-11-27)6-7-19(15)24-20(28)8-9-21-25-22(26-30-21)16-2-4-17(23)5-3-16/h2-7,14H,8-13H2,1H3,(H,24,28)
InChIKeyPCMVCHPMQLSIGD-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.11
Rot. Bonds6

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide (PubChem CID 55615243) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
PubChem CID55615243
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C22H23ClN4O3/c1-15-14-18(27-10-12-29-13-11-27)6-7-19(15)24-20(28)8-9-21-25-22(26-30-21)16-2-4-17(23)5-3-16/h2-7,14H,8-13H2,1H3,(H,24,28)
InChIKeyPCMVCHPMQLSIGD-UHFFFAOYSA-N
XLogP4.11
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 55615431
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 41270775
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55407922
3-(2-hydroxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 46415307
N-(5-chloro-2-methylphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26692915
N-(4-chloro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047544
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)propanamide
CID 100759349
N-(4-bromo-2-chlorophenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26705874
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 51098095
N-(5-morpholin-4-yl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38142790
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 51966527
N-(4-morpholin-4-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26585016

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide (CID 55615243) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide is Cc1cc(N2CCOCC2)ccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide?
The InChIKey is PCMVCHPMQLSIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-15-14-18(27-10-12-29-13-11-27)6-7-19(15)24-20(28)8-9-21-25-22(26-30-21)16-2-4-17(23)5-3-16/h2-7,14H,8-13H2,1H3,(H,24,28).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide has a molecular weight of 426.90 g/mol, XLogP of 4.11, 6 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-methyl-4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 55615243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).