4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide

C16H20FN3O3 — CID 110000563

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
SMILESCC(C)(CO)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H20FN3O3/c1-16(2,10-21)19-13(22)4-3-5-14-18-15(20-23-14)11-6-8-12(17)9-7-11/h6-9,21H,3-5,10H2,1-2H3,(H,19,22)
InChIKeyFNNSCTFKUAIHOX-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.09
Rot. Bonds7

About 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide (PubChem CID 110000563) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
PubChem CID110000563
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
SMILESCC(C)(CO)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H20FN3O3/c1-16(2,10-21)19-13(22)4-3-5-14-18-15(20-23-14)11-6-8-12(17)9-7-11/h6-9,21H,3-5,10H2,1-2H3,(H,19,22)
InChIKeyFNNSCTFKUAIHOX-UHFFFAOYSA-N
XLogP2.09
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119628613
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)butanamide
CID 78874390
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
CID 119599132
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxycyclohexyl)butanamide
CID 110890082
methyl 4-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoate
CID 39704791
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258
N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55973374
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 83279519
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide
CID 55684471
N-(5-acetamido-2-methylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46454649

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide (CID 110000563) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide is CC(C)(CO)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The InChIKey is FNNSCTFKUAIHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-16(2,10-21)19-13(22)4-3-5-14-18-15(20-23-14)11-6-8-12(17)9-7-11/h6-9,21H,3-5,10H2,1-2H3,(H,19,22).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide has a molecular weight of 321.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide is sourced from PubChem (CID 110000563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).