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

C24H20ClFN4O2 — CID 55888962

IUPACN-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClFN4O2/c25-18-9-13-21(14-10-18)30(16-20-4-1-2-15-27-20)23(31)6-3-5-22-28-24(29-32-22)17-7-11-19(26)12-8-17/h1-2,4,7-15H,3,5-6,16H2
InChIKeyKMRUZPHNCHPJFP-UHFFFAOYSA-N
MW450.90 g/mol
LogP5.48
Rot. Bonds8

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

N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 55888962) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide
PubChem CID55888962
Molecular FormulaC24H20ClFN4O2
Molecular Weight450.90 g/mol
Exact Mass450.13
IUPAC NameN-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClFN4O2/c25-18-9-13-21(14-10-18)30(16-20-4-1-2-15-27-20)23(31)6-3-5-22-28-24(29-32-22)17-7-11-19(26)12-8-17/h1-2,4,7-15H,3,5-6,16H2
InChIKeyKMRUZPHNCHPJFP-UHFFFAOYSA-N
XLogP5.48
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.90
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 87028346
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)butanamide
CID 38925171
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenylbutanamide
CID 8874898
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 86833646
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide
CID 55670564
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55981030
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
N-[2-(3-chloroanilino)-2-oxoethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
CID 55690826
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31666101

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide (CID 55888962) is N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide is O=C(CCCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is KMRUZPHNCHPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c25-18-9-13-21(14-10-18)30(16-20-4-1-2-15-27-20)23(31)6-3-5-22-28-24(29-32-22)17-7-11-19(26)12-8-17/h1-2,4,7-15H,3,5-6,16H2.
What are the key properties of N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide?
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 450.90 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 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]-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 55888962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).