4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide

C19H20N4O2 — CID 24642203

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
SMILESCC(NC(=O)CCCc1nc(-c2ccccc2)no1)c1cccnc1
InChIInChI=1S/C19H20N4O2/c1-14(16-9-6-12-20-13-16)21-17(24)10-5-11-18-22-19(23-25-18)15-7-3-2-4-8-15/h2-4,6-9,12-14H,5,10-11H2,1H3,(H,21,24)
InChIKeyJJLXICHIBNUJEY-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.33
Rot. Bonds7

About 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide (PubChem CID 24642203) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
PubChem CID24642203
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
SMILESCC(NC(=O)CCCc1nc(-c2ccccc2)no1)c1cccnc1
InChIInChI=1S/C19H20N4O2/c1-14(16-9-6-12-20-13-16)21-17(24)10-5-11-18-22-19(23-25-18)15-7-3-2-4-8-15/h2-4,6-9,12-14H,5,10-11H2,1H3,(H,21,24)
InChIKeyJJLXICHIBNUJEY-UHFFFAOYSA-N
XLogP3.33
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
CID 42921804
N-[1-(3-bromophenyl)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55625576
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 94023291
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide
CID 55692680
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 124864434
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100763831
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9181339
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 92903340
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
CID 94172677
6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide (CID 24642203) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide is CC(NC(=O)CCCc1nc(-c2ccccc2)no1)c1cccnc1.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide?
The InChIKey is JJLXICHIBNUJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(16-9-6-12-20-13-16)21-17(24)10-5-11-18-22-19(23-25-18)15-7-3-2-4-8-15/h2-4,6-9,12-14H,5,10-11H2,1H3,(H,21,24).
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide?
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide has a molecular weight of 336.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide is sourced from PubChem (CID 24642203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).