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

C19H24N4O3 — CID 22515116

IUPACN-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2nc(C3=CCN(C)CC3)no2)c1
InChIInChI=1S/C19H24N4O3/c1-23-10-8-15(9-11-23)19-21-18(26-22-19)7-6-17(24)20-13-14-4-3-5-16(12-14)25-2/h3-5,8,12H,6-7,9-11,13H2,1-2H3,(H,20,24)
InChIKeyQOFQOWSBYAVNNR-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.05
Rot. Bonds7

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

N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 22515116) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID22515116
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2nc(C3=CCN(C)CC3)no2)c1
InChIInChI=1S/C19H24N4O3/c1-23-10-8-15(9-11-23)19-21-18(26-22-19)7-6-17(24)20-13-14-4-3-5-16(12-14)25-2/h3-5,8,12H,6-7,9-11,13H2,1-2H3,(H,20,24)
InChIKeyQOFQOWSBYAVNNR-UHFFFAOYSA-N
XLogP2.05
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]propanamide
CID 78868511
N-[(4-chlorophenyl)methyl]-3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 22581193
3-(3-methoxyphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134051001
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 667378
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide
CID 46588266
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46358243
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide
CID 46461382
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-[(3,4-dimethoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17442023

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 22515116) is N-[(3-methoxyphenyl)methyl]-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-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide is COc1cccc(CNC(=O)CCc2nc(C3=CCN(C)CC3)no2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is QOFQOWSBYAVNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-23-10-8-15(9-11-23)19-21-18(26-22-19)7-6-17(24)20-13-14-4-3-5-16(12-14)25-2/h3-5,8,12H,6-7,9-11,13H2,1-2H3,(H,20,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 356.43 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 22515116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).