2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide

C16H21N3O3 — CID 42764937

IUPAC2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NCCC(C)C)no2)cc1
InChIInChI=1S/C16H21N3O3/c1-11(2)8-9-17-15(20)10-14-18-16(22-19-14)12-4-6-13(21-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyQUIRLYFYLQGGHY-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.45
Rot. Bonds7

About 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide

2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide (PubChem CID 42764937) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide
PubChem CID42764937
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NCCC(C)C)no2)cc1
InChIInChI=1S/C16H21N3O3/c1-11(2)8-9-17-15(20)10-14-18-16(22-19-14)12-4-6-13(21-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyQUIRLYFYLQGGHY-UHFFFAOYSA-N
XLogP2.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238347
N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110415619
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 2701885
2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53049081
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 53049075
2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide
CID 27211427
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-ethylbutanoate
CID 60562016
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenylpropanamide
CID 53049102
N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide
CID 134001035
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide (CID 42764937) is 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide is COc1ccc(-c2nc(CC(=O)NCCC(C)C)no2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is QUIRLYFYLQGGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(2)8-9-17-15(20)10-14-18-16(22-19-14)12-4-6-13(21-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide?
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 42764937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).