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

C18H15ClFN3O2 — CID 38886325

IUPACN-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFN3O2/c19-13-6-10-15(11-7-13)21-16(24)2-1-3-17-22-18(23-25-17)12-4-8-14(20)9-5-12/h4-11H,1-3H2,(H,21,24)
InChIKeyRHFZDWOGHXMZIM-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.49
Rot. Bonds6

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

N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 38886325) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID38886325
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFN3O2/c19-13-6-10-15(11-7-13)21-16(24)2-1-3-17-22-18(23-25-17)12-4-8-14(20)9-5-12/h4-11H,1-3H2,(H,21,24)
InChIKeyRHFZDWOGHXMZIM-UHFFFAOYSA-N
XLogP4.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodophenyl)butanamide
CID 39892599
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-(4-methylsulfanylphenyl)butanamide
CID 38739993
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluoro-3-nitrophenyl)butanamide
CID 38701413
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 38931913
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 39705764
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)propanamide
CID 9180330
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41466780
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 38886325) is N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is RHFZDWOGHXMZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c19-13-6-10-15(11-7-13)21-16(24)2-1-3-17-22-18(23-25-17)12-4-8-14(20)9-5-12/h4-11H,1-3H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 359.79 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 38886325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).