4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide

C25H31N3O3 — CID 46456355

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)NCc2ccc(COCc3ccccc3)cc2)n1
InChIInChI=1S/C25H31N3O3/c1-25(2,3)24-27-23(31-28-24)11-7-10-22(29)26-16-19-12-14-21(15-13-19)18-30-17-20-8-5-4-6-9-20/h4-6,8-9,12-15H,7,10-11,16-18H2,1-3H3,(H,26,29)
InChIKeyLTSQFCAEVVWYRY-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.72
Rot. Bonds10

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide (PubChem CID 46456355) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
PubChem CID46456355
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)NCc2ccc(COCc3ccccc3)cc2)n1
InChIInChI=1S/C25H31N3O3/c1-25(2,3)24-27-23(31-28-24)11-7-10-22(29)26-16-19-12-14-21(15-13-19)18-30-17-20-8-5-4-6-9-20/h4-6,8-9,12-15H,7,10-11,16-18H2,1-3H3,(H,26,29)
InChIKeyLTSQFCAEVVWYRY-UHFFFAOYSA-N
XLogP4.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 86998505
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide
CID 75399285
3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide
CID 55724183
N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 78869966
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 46465242
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 55747104
N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2991422
N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 39907313
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide
CID 86836663
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 46453199

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide (CID 46456355) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide is CC(C)(C)c1noc(CCCC(=O)NCc2ccc(COCc3ccccc3)cc2)n1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide?
The InChIKey is LTSQFCAEVVWYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-25(2,3)24-27-23(31-28-24)11-7-10-22(29)26-16-19-12-14-21(15-13-19)18-30-17-20-8-5-4-6-9-20/h4-6,8-9,12-15H,7,10-11,16-18H2,1-3H3,(H,26,29).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide has a molecular weight of 421.54 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 46456355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).