3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

C20H22N4O3 — CID 50748643

IUPAC3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCCCn1c(C)ccc(-c2noc(CCC(=O)Nc3ccccc3)n2)c1=O
InChIInChI=1S/C20H22N4O3/c1-3-13-24-14(2)9-10-16(20(24)26)19-22-18(27-23-19)12-11-17(25)21-15-7-5-4-6-8-15/h4-10H,3,11-13H2,1-2H3,(H,21,25)
InChIKeyXQLOBLVHOXLLLS-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.19
Rot. Bonds7

About 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (PubChem CID 50748643) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
PubChem CID50748643
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCCCn1c(C)ccc(-c2noc(CCC(=O)Nc3ccccc3)n2)c1=O
InChIInChI=1S/C20H22N4O3/c1-3-13-24-14(2)9-10-16(20(24)26)19-22-18(27-23-19)12-11-17(25)21-15-7-5-4-6-8-15/h4-10H,3,11-13H2,1-2H3,(H,21,25)
InChIKeyXQLOBLVHOXLLLS-UHFFFAOYSA-N
XLogP3.19
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 50748256
N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50748237
3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 50748679
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 94081161
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 94081163
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 94081168
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 100763881
4-[3-[6-methyl-1-(2-methylpropyl)-2-oxo-3-pyridinyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 97058140
3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2989774

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The IUPAC name of 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (CID 50748643) is 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is CCCn1c(C)ccc(-c2noc(CCC(=O)Nc3ccccc3)n2)c1=O.
What is the InChIKey of 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The InChIKey is XQLOBLVHOXLLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-13-24-14(2)9-10-16(20(24)26)19-22-18(27-23-19)12-11-17(25)21-15-7-5-4-6-8-15/h4-10H,3,11-13H2,1-2H3,(H,21,25).
What are the key properties of 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide has a molecular weight of 366.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is sourced from PubChem (CID 50748643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).