4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide

C15H18ClN3O3 — CID 78866247

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
SMILESCC(O)CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O3/c1-10(20)9-17-13(21)3-2-4-14-18-15(19-22-14)11-5-7-12(16)8-6-11/h5-8,10,20H,2-4,9H2,1H3,(H,17,21)
InChIKeyVKZXZHXSUYTTNA-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.21
Rot. Bonds7

About 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide (PubChem CID 78866247) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
PubChem CID78866247
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
SMILESCC(O)CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O3/c1-10(20)9-17-13(21)3-2-4-14-18-15(19-22-14)11-5-7-12(16)8-6-11/h5-8,10,20H,2-4,9H2,1H3,(H,17,21)
InChIKeyVKZXZHXSUYTTNA-UHFFFAOYSA-N
XLogP2.21
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119495720
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide
CID 120828775
methyl (2S)-2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propanoate
CID 87040359
N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
CID 120507694
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]butanamide
CID 55648302
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]-4-methylpentanoic acid
CID 119188396
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55648348
7-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
CID 46190755
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 55919632
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 110330836

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide (CID 78866247) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide is CC(O)CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide?
The InChIKey is VKZXZHXSUYTTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-10(20)9-17-13(21)3-2-4-14-18-15(19-22-14)11-5-7-12(16)8-6-11/h5-8,10,20H,2-4,9H2,1H3,(H,17,21).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide has a molecular weight of 323.78 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide is sourced from PubChem (CID 78866247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).