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

C12H13N3O2 — CID 6459027

IUPACN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C12H13N3O2/c1-8-4-3-5-10(6-8)12-14-11(17-15-12)7-13-9(2)16/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyPJOYBBKSSFXKGW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.68
Rot. Bonds3

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

N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 6459027) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID6459027
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C12H13N3O2/c1-8-4-3-5-10(6-8)12-14-11(17-15-12)7-13-9(2)16/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyPJOYBBKSSFXKGW-UHFFFAOYSA-N
XLogP1.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylprop-2-enamide
CID 71951744
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 7393230
[2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894978
1-(3-chlorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6462207
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 6462939
2-(2,4-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 50875003
2-(2,5-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2987985
2-(2-methylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2997367
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)acetamide
CID 8836810
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide
CID 132653294
2-(4-ethoxyphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 110322807

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 6459027) is N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is CC(=O)NCc1nc(-c2cccc(C)c2)no1.
What is the InChIKey of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is PJOYBBKSSFXKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-4-3-5-10(6-8)12-14-11(17-15-12)7-13-9(2)16/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 231.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 6459027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).