3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide

C20H28N4O3 — CID 55724183

IUPAC3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)CCCc2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C20H28N4O3/c1-5-21-18(26)15-9-6-8-14(12-15)13-22-16(25)10-7-11-17-23-19(24-27-17)20(2,3)4/h6,8-9,12H,5,7,10-11,13H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyCDFTXCRYSMPSEQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.76
Rot. Bonds8

About 3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide

3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide (PubChem CID 55724183) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide
PubChem CID55724183
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)CCCc2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C20H28N4O3/c1-5-21-18(26)15-9-6-8-14(12-15)13-22-16(25)10-7-11-17-23-19(24-27-17)20(2,3)4/h6,8-9,12H,5,7,10-11,13H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyCDFTXCRYSMPSEQ-UHFFFAOYSA-N
XLogP2.76
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
CID 46456355
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide
CID 86836663
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 55954642
N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
CID 146088960
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide
CID 55854782
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 78869966
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 55747104
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766144
methyl 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-[(3-fluorophenyl)methyl]amino]acetate
CID 47072634

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide?
The IUPAC name of 3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide (CID 55724183) is 3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide?
The canonical SMILES for 3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide is CCNC(=O)c1cccc(CNC(=O)CCCc2nc(C(C)(C)C)no2)c1.
What is the InChIKey of 3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide?
The InChIKey is CDFTXCRYSMPSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-5-21-18(26)15-9-6-8-14(12-15)13-22-16(25)10-7-11-17-23-19(24-27-17)20(2,3)4/h6,8-9,12H,5,7,10-11,13H2,1-4H3,(H,21,26)(H,22,25).
What are the key properties of 3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide?
3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide has a molecular weight of 372.47 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 55724183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).