N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide

C17H21N3O4 — CID 110611909

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCc1ccccc1-c1noc(CC(=O)NCCC2(C)OCCO2)n1
InChIInChI=1S/C17H21N3O4/c1-12-5-3-4-6-13(12)16-19-15(24-20-16)11-14(21)18-8-7-17(2)22-9-10-23-17/h3-6H,7-11H2,1-2H3,(H,18,21)
InChIKeyUTZJOXYLWOCWGR-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.86
Rot. Bonds6

About N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide (PubChem CID 110611909) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
PubChem CID110611909
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCc1ccccc1-c1noc(CC(=O)NCCC2(C)OCCO2)n1
InChIInChI=1S/C17H21N3O4/c1-12-5-3-4-6-13(12)16-19-15(24-20-16)11-14(21)18-8-7-17(2)22-9-10-23-17/h3-6H,7-11H2,1-2H3,(H,18,21)
InChIKeyUTZJOXYLWOCWGR-UHFFFAOYSA-N
XLogP1.86
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
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N-(4,4-dimethylpentyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
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N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
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2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 110323644
N-(1-hydroxypropan-2-yl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110428206
3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
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N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110621262
3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323620
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110632591
3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
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N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide (CID 110611909) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide is Cc1ccccc1-c1noc(CC(=O)NCCC2(C)OCCO2)n1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The InChIKey is UTZJOXYLWOCWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12-5-3-4-6-13(12)16-19-15(24-20-16)11-14(21)18-8-7-17(2)22-9-10-23-17/h3-6H,7-11H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide is sourced from PubChem (CID 110611909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).