3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide

C15H19ClN4O2 — CID 120828775

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H19ClN4O2/c1-10(17-2)9-18-13(21)7-8-14-19-15(20-22-14)11-3-5-12(16)6-4-11/h3-6,10,17H,7-9H2,1-2H3,(H,18,21)
InChIKeyNRFXOMLUWWBHCD-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.05
Rot. Bonds7

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide (PubChem CID 120828775) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide
PubChem CID120828775
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H19ClN4O2/c1-10(17-2)9-18-13(21)7-8-14-19-15(20-22-14)11-3-5-12(16)6-4-11/h3-6,10,17H,7-9H2,1-2H3,(H,18,21)
InChIKeyNRFXOMLUWWBHCD-UHFFFAOYSA-N
XLogP2.05
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
CID 78866247
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 99641746
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-ynylpropanamide
CID 18110149
N-[(4-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31064361
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 55201837
(2S)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-ethylpropanamide
CID 9470716
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94051750
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(ethylamino)ethyl]propanamide
CID 119505234
(2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide
CID 9227893
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 110330836
N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
N-[1-(4-chlorophenyl)ethyl]-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide (CID 120828775) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide is CNC(C)CNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide?
The InChIKey is NRFXOMLUWWBHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-10(17-2)9-18-13(21)7-8-14-19-15(20-22-14)11-3-5-12(16)6-4-11/h3-6,10,17H,7-9H2,1-2H3,(H,18,21).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide has a molecular weight of 322.80 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide is sourced from PubChem (CID 120828775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).