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

C13H15N3O3 — CID 56783299

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
SMILESCc1noc(OCC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C13H15N3O3/c1-9(11-6-4-3-5-7-11)14-12(17)8-18-13-15-10(2)16-19-13/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyMDOGWGFGJVYNFR-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.63
Rot. Bonds5

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

2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide (PubChem CID 56783299) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
PubChem CID56783299
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
SMILESCc1noc(OCC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C13H15N3O3/c1-9(11-6-4-3-5-7-11)14-12(17)8-18-13-15-10(2)16-19-13/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyMDOGWGFGJVYNFR-UHFFFAOYSA-N
XLogP1.63
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
CID 56783332
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
CID 71932292
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
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide
CID 94180339
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
2-(2-ethylphenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820638

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide (CID 56783299) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide is Cc1noc(OCC(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide?
The InChIKey is MDOGWGFGJVYNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9(11-6-4-3-5-7-11)14-12(17)8-18-13-15-10(2)16-19-13/h3-7,9H,8H2,1-2H3,(H,14,17).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide has a molecular weight of 261.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 56783299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).