N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride

C19H28ClFN4O2 — CID 119599132

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1.Cl
InChIInChI=1S/C19H27FN4O2.ClH/c1-13(2)11-19(3,12-21)23-16(25)5-4-6-17-22-18(24-26-17)14-7-9-15(20)10-8-14;/h7-10,13H,4-6,11-12,21H2,1-3H3,(H,23,25);1H
InChIKeyHPSDUHYVIYIDTN-UHFFFAOYSA-N
MW398.91 g/mol
LogP3.50
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride (PubChem CID 119599132) has the molecular formula C19H28ClFN4O2 and a molecular weight of 398.91 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
PubChem CID119599132
Molecular FormulaC19H28ClFN4O2
Molecular Weight398.91 g/mol
Exact Mass398.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1.Cl
InChIInChI=1S/C19H27FN4O2.ClH/c1-13(2)11-19(3,12-21)23-16(25)5-4-6-17-22-18(24-26-17)14-7-9-15(20)10-8-14;/h7-10,13H,4-6,11-12,21H2,1-3H3,(H,23,25);1H
InChIKeyHPSDUHYVIYIDTN-UHFFFAOYSA-N
XLogP3.50
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.91
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119598258
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
CID 110000563
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119598322
N-(2-amino-2-methylpropyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119628613
N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55973374
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)butanamide
CID 78874390
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
CID 120507694
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
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119608419
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride (CID 119599132) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
The InChIKey is HPSDUHYVIYIDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2.ClH/c1-13(2)11-19(3,12-21)23-16(25)5-4-6-17-22-18(24-26-17)14-7-9-15(20)10-8-14;/h7-10,13H,4-6,11-12,21H2,1-3H3,(H,23,25);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride has a molecular weight of 398.91 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride is sourced from PubChem (CID 119599132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).