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

C12H13N3O3 — CID 113238378

IUPAC2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)Cc2ccccc2O)no1
InChIInChI=1S/C12H13N3O3/c1-8-14-11(15-18-8)7-13-12(17)6-9-4-2-3-5-10(9)16/h2-5,16H,6-7H2,1H3,(H,13,17)
InChIKeyIURMGVRNNDWINX-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.94
Rot. Bonds4

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

2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 113238378) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID113238378
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)Cc2ccccc2O)no1
InChIInChI=1S/C12H13N3O3/c1-8-14-11(15-18-8)7-13-12(17)6-9-4-2-3-5-10(9)16/h2-5,16H,6-7H2,1H3,(H,13,17)
InChIKeyIURMGVRNNDWINX-UHFFFAOYSA-N
XLogP0.94
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110410122
2-(2-aminoethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106396658
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 114184685
3,5-dihydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 103892543
6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103790332
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 90978973
2-(2-methylphenyl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53098318
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
3-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-5-oxopentanoic acid
CID 106394544
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 50755014

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 113238378) is 2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is Cc1nc(CNC(=O)Cc2ccccc2O)no1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is IURMGVRNNDWINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-14-11(15-18-8)7-13-12(17)6-9-4-2-3-5-10(9)16/h2-5,16H,6-7H2,1H3,(H,13,17).
What are the key properties of 2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 247.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 113238378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).