N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide

C24H28BrN3O3 — CID 55881198

IUPACN-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide
SMILESCCCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)C(C)c1ccccc1Br
InChIInChI=1S/C24H28BrN3O3/c1-4-16-28(17(2)20-8-5-6-9-21(20)25)23(29)11-7-10-22-26-24(27-31-22)18-12-14-19(30-3)15-13-18/h5-6,8-9,12-15,17H,4,7,10-11,16H2,1-3H3
InChIKeyKURAFVGSQVUZNJ-UHFFFAOYSA-N
MW486.41 g/mol
LogP5.83
Rot. Bonds10

About N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide

N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide (PubChem CID 55881198) has the molecular formula C24H28BrN3O3 and a molecular weight of 486.41 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide
PubChem CID55881198
Molecular FormulaC24H28BrN3O3
Molecular Weight486.41 g/mol
Exact Mass485.13
IUPAC NameN-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide
SMILESCCCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)C(C)c1ccccc1Br
InChIInChI=1S/C24H28BrN3O3/c1-4-16-28(17(2)20-8-5-6-9-21(20)25)23(29)11-7-10-22-26-24(27-31-22)18-12-14-19(30-3)15-13-18/h5-6,8-9,12-15,17H,4,7,10-11,16H2,1-3H3
InChIKeyKURAFVGSQVUZNJ-UHFFFAOYSA-N
XLogP5.83
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.41
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide
CID 55881199
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide
CID 83280002
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide
CID 119824065
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55593250
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 20851568
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide
CID 51133695
3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 83281075
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
CID 119223782
N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride
CID 119653875
N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38706011
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9152122

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide (CID 55881198) is N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide is CCCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)C(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide?
The InChIKey is KURAFVGSQVUZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O3/c1-4-16-28(17(2)20-8-5-6-9-21(20)25)23(29)11-7-10-22-26-24(27-31-22)18-12-14-19(30-3)15-13-18/h5-6,8-9,12-15,17H,4,7,10-11,16H2,1-3H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide?
N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide has a molecular weight of 486.41 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide is sourced from PubChem (CID 55881198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).