4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide

C20H29N3O4 — CID 75399285

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide
SMILESCOc1ccc(COCCNC(=O)CCCc2nc(C(C)(C)C)no2)cc1
InChIInChI=1S/C20H29N3O4/c1-20(2,3)19-22-18(27-23-19)7-5-6-17(24)21-12-13-26-14-15-8-10-16(25-4)11-9-15/h8-11H,5-7,12-14H2,1-4H3,(H,21,24)
InChIKeyIGFCFKVUSFMDHT-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.03
Rot. Bonds10

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide (PubChem CID 75399285) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide
PubChem CID75399285
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide
SMILESCOc1ccc(COCCNC(=O)CCCc2nc(C(C)(C)C)no2)cc1
InChIInChI=1S/C20H29N3O4/c1-20(2,3)19-22-18(27-23-19)7-5-6-17(24)21-12-13-26-14-15-8-10-16(25-4)11-9-15/h8-11H,5-7,12-14H2,1-4H3,(H,21,24)
InChIKeyIGFCFKVUSFMDHT-UHFFFAOYSA-N
XLogP3.03
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
CID 46456355
N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 78869966
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999216
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 55919632
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N'-(4-fluorophenyl)butanehydrazide
CID 126799900
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide
CID 55724183
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38706011
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide
CID 2031380

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide (CID 75399285) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide is COc1ccc(COCCNC(=O)CCCc2nc(C(C)(C)C)no2)cc1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide?
The InChIKey is IGFCFKVUSFMDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-20(2,3)19-22-18(27-23-19)7-5-6-17(24)21-12-13-26-14-15-8-10-16(25-4)11-9-15/h8-11H,5-7,12-14H2,1-4H3,(H,21,24).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide has a molecular weight of 375.47 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide is sourced from PubChem (CID 75399285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).