4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide

C27H24N6O3 — CID 55990026

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)Nc3ccccc3-c3nc(-c4ccccc4)n[nH]3)n2)cc1
InChIInChI=1S/C27H24N6O3/c1-35-20-16-14-19(15-17-20)26-29-24(36-33-26)13-7-12-23(34)28-22-11-6-5-10-21(22)27-30-25(31-32-27)18-8-3-2-4-9-18/h2-6,8-11,14-17H,7,12-13H2,1H3,(H,28,34)(H,30,31,32)
InChIKeyWPMGRNUKEUANEG-UHFFFAOYSA-N
MW480.53 g/mol
LogP5.16
Rot. Bonds9

About 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide (PubChem CID 55990026) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide
PubChem CID55990026
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)Nc3ccccc3-c3nc(-c4ccccc4)n[nH]3)n2)cc1
InChIInChI=1S/C27H24N6O3/c1-35-20-16-14-19(15-17-20)26-29-24(36-33-26)13-7-12-23(34)28-22-11-6-5-10-21(22)27-30-25(31-32-27)18-8-3-2-4-9-18/h2-6,8-11,14-17H,7,12-13H2,1H3,(H,28,34)(H,30,31,32)
InChIKeyWPMGRNUKEUANEG-UHFFFAOYSA-N
XLogP5.16
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333369
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 52815756
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 96559554
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
CID 119223782
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 55964947
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-2-pyridinyl)butanamide
CID 55650824
N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38706011
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide (CID 55990026) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide is COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3-c3nc(-c4ccccc4)n[nH]3)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide?
The InChIKey is WPMGRNUKEUANEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c1-35-20-16-14-19(15-17-20)26-29-24(36-33-26)13-7-12-23(34)28-22-11-6-5-10-21(22)27-30-25(31-32-27)18-8-3-2-4-9-18/h2-6,8-11,14-17H,7,12-13H2,1H3,(H,28,34)(H,30,31,32).
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide?
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide has a molecular weight of 480.53 g/mol, XLogP of 5.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 55990026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).