2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide

C16H21N3O3 — CID 56783332

IUPAC2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1nc(C(C)(C)C)no1)c1ccccc1
InChIInChI=1S/C16H21N3O3/c1-11(12-8-6-5-7-9-12)17-13(20)10-21-15-18-14(19-22-15)16(2,3)4/h5-9,11H,10H2,1-4H3,(H,17,20)
InChIKeyVGZKGZNSLGJOOM-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.62
Rot. Bonds5

About 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide

2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide (PubChem CID 56783332) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
PubChem CID56783332
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1nc(C(C)(C)C)no1)c1ccccc1
InChIInChI=1S/C16H21N3O3/c1-11(12-8-6-5-7-9-12)17-13(20)10-21-15-18-14(19-22-15)16(2,3)4/h5-9,11H,10H2,1-4H3,(H,17,20)
InChIKeyVGZKGZNSLGJOOM-UHFFFAOYSA-N
XLogP2.62
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
CID 56783299
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 39818952
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 7919365
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide (CID 56783332) is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide is CC(NC(=O)COc1nc(C(C)(C)C)no1)c1ccccc1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide?
The InChIKey is VGZKGZNSLGJOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(12-8-6-5-7-9-12)17-13(20)10-21-15-18-14(19-22-15)16(2,3)4/h5-9,11H,10H2,1-4H3,(H,17,20).
What are the key properties of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide?
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 56783332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).