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

C18H22N4O2 — CID 46358209

IUPAC3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)c1
InChIInChI=1S/C18H22N4O2/c1-13-4-3-5-15(12-13)19-16(23)6-7-17-20-18(21-24-17)14-8-10-22(2)11-9-14/h3-5,8,12H,6-7,9-11H2,1-2H3,(H,19,23)
InChIKeyAOBCRNCHFFZOSJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.67
Rot. Bonds5

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

3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide (PubChem CID 46358209) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
PubChem CID46358209
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)c1
InChIInChI=1S/C18H22N4O2/c1-13-4-3-5-15(12-13)19-16(23)6-7-17-20-18(21-24-17)14-8-10-22(2)11-9-14/h3-5,8,12H,6-7,9-11H2,1-2H3,(H,19,23)
InChIKeyAOBCRNCHFFZOSJ-UHFFFAOYSA-N
XLogP2.67
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 22515116
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
N-(3-bromophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99773154
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
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
CID 46265246
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 46358218
3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 46358211
N-(4-iodophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758297
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid
CID 43351280
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
ethyl 4-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 666398

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide (CID 46358209) is 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)c1.
What is the InChIKey of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is AOBCRNCHFFZOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-4-3-5-15(12-13)19-16(23)6-7-17-20-18(21-24-17)14-8-10-22(2)11-9-14/h3-5,8,12H,6-7,9-11H2,1-2H3,(H,19,23).
What are the key properties of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 46358209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).