N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide

C19H23ClN4O4 — CID 46358147

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cc(OC)c(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)cc1Cl
InChIInChI=1S/C19H23ClN4O4/c1-24-8-6-12(7-9-24)19-22-18(28-23-19)5-4-17(25)21-14-10-13(20)15(26-2)11-16(14)27-3/h6,10-11H,4-5,7-9H2,1-3H3,(H,21,25)
InChIKeyAACDGNGIDPYWCN-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.03
Rot. Bonds7

About N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 46358147) has the molecular formula C19H23ClN4O4 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID46358147
Molecular FormulaC19H23ClN4O4
Molecular Weight406.87 g/mol
Exact Mass406.14
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cc(OC)c(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)cc1Cl
InChIInChI=1S/C19H23ClN4O4/c1-24-8-6-12(7-9-24)19-22-18(28-23-19)5-4-17(25)21-14-10-13(20)15(26-2)11-16(14)27-3/h6,10-11H,4-5,7-9H2,1-3H3,(H,21,25)
InChIKeyAACDGNGIDPYWCN-UHFFFAOYSA-N
XLogP3.03
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 46358209
3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 22515089
ethyl 4-[3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate
CID 3243211
N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 22515116
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 22581192
N-(2,4-dichlorophenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26584637
N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354703
N-(3-chloro-4-methoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9083038
N-(5-bromo-2-methoxyphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55906686
N-(5-chloro-2-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31066407
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16597590
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 46358254

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 46358147) is N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide is COc1cc(OC)c(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is AACDGNGIDPYWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4/c1-24-8-6-12(7-9-24)19-22-18(28-23-19)5-4-17(25)21-14-10-13(20)15(26-2)11-16(14)27-3/h6,10-11H,4-5,7-9H2,1-3H3,(H,21,25).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 406.87 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 46358147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).