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

C19H27FN4O2 — CID 55973374

IUPACN-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCN(CC)C(C)CNC(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H27FN4O2/c1-4-24(5-2)14(3)13-21-17(25)7-6-8-18-22-19(23-26-18)15-9-11-16(20)12-10-15/h9-12,14H,4-8,13H2,1-3H3,(H,21,25)
InChIKeyGYQYHNFFCCFLBY-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.04
Rot. Bonds10

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

N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 55973374) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID55973374
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC NameN-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCN(CC)C(C)CNC(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H27FN4O2/c1-4-24(5-2)14(3)13-21-17(25)7-6-8-18-22-19(23-26-18)15-9-11-16(20)12-10-15/h9-12,14H,4-8,13H2,1-3H3,(H,21,25)
InChIKeyGYQYHNFFCCFLBY-UHFFFAOYSA-N
XLogP3.04
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-hydroxyethyl)butanamide
CID 78874390
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-(furan-2-yl)-2-hydroxyethyl]butanamide
CID 78872121
methyl 4-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoate
CID 39704791
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
CID 78866247
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55848686
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
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)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
CID 119599132
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 55973374) is N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is CCN(CC)C(C)CNC(=O)CCCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is GYQYHNFFCCFLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-4-24(5-2)14(3)13-21-17(25)7-6-8-18-22-19(23-26-18)15-9-11-16(20)12-10-15/h9-12,14H,4-8,13H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 362.45 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 55973374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).