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

C28H29N3O3 — CID 38706011

IUPACN-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H29N3O3/c1-33-24-17-15-23(16-18-24)28-30-27(34-31-28)14-8-13-26(32)29-20-19-25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,15-18,25H,8,13-14,19-20H2,1H3,(H,29,32)
InChIKeyXIIKNBDCRLBBBE-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.41
Rot. Bonds11

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

N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 38706011) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID38706011
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H29N3O3/c1-33-24-17-15-23(16-18-24)28-30-27(34-31-28)14-8-13-26(32)29-20-19-25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,15-18,25H,8,13-14,19-20H2,1H3,(H,29,32)
InChIKeyXIIKNBDCRLBBBE-UHFFFAOYSA-N
XLogP5.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 55919632
N-(3-aminobutyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119495720
N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
CID 119223782
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 47889008
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 31974397
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 24688394
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 2028921
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 38706011) is N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is COc1ccc(-c2noc(CCCC(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is XIIKNBDCRLBBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-33-24-17-15-23(16-18-24)28-30-27(34-31-28)14-8-13-26(32)29-20-19-25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,15-18,25H,8,13-14,19-20H2,1H3,(H,29,32).
What are the key properties of N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 455.56 g/mol, XLogP of 5.41, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 38706011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).