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

C20H29N3O3 — CID 86836663

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide
SMILESCC(C)COc1cccc(CNC(=O)CCc2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)13-25-16-8-6-7-15(11-16)12-21-17(24)9-10-18-22-19(23-26-18)20(3,4)5/h6-8,11,14H,9-10,12-13H2,1-5H3,(H,21,24)
InChIKeyBVLUAHPWOGETMU-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.65
Rot. Bonds8

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

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide (PubChem CID 86836663) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide
PubChem CID86836663
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide
SMILESCC(C)COc1cccc(CNC(=O)CCc2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)13-25-16-8-6-7-15(11-16)12-21-17(24)9-10-18-22-19(23-26-18)20(3,4)5/h6-8,11,14H,9-10,12-13H2,1-5H3,(H,21,24)
InChIKeyBVLUAHPWOGETMU-UHFFFAOYSA-N
XLogP3.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide with MolForge

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Related Compounds

3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide
CID 55724183
2-chloro-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 166403692
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
CID 46456355
tert-butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate
CID 138586671
2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide
CID 55678624
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid
CID 119246497
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide
CID 46440233
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55678586
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide
CID 87031670
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55748204
3-[[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
CID 32637808

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide (CID 86836663) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide is CC(C)COc1cccc(CNC(=O)CCc2nc(C(C)(C)C)no2)c1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide?
The InChIKey is BVLUAHPWOGETMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)13-25-16-8-6-7-15(11-16)12-21-17(24)9-10-18-22-19(23-26-18)20(3,4)5/h6-8,11,14H,9-10,12-13H2,1-5H3,(H,21,24).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide has a molecular weight of 359.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 86836663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).