3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide

C12H12N4O3 — CID 39339684

IUPAC3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C12H12N4O3/c1-13-11(18)12-15-9(16-19-12)7-10(17)14-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,18)(H,14,17)
InChIKeyGZBSEXKMOQPLJF-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.61
Rot. Bonds4

About 3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide

3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 39339684) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID39339684
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C12H12N4O3/c1-13-11(18)12-15-9(16-19-12)7-10(17)14-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,18)(H,14,17)
InChIKeyGZBSEXKMOQPLJF-UHFFFAOYSA-N
XLogP0.61
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39335824
3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 39332959
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 39036188
2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838525
2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39333258
2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 75524613
2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838572
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211491
N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 124843527
N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120838621

Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide (CID 39339684) is 3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(CC(=O)Nc2ccccc2)no1.
What is the InChIKey of 3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GZBSEXKMOQPLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-13-11(18)12-15-9(16-19-12)7-10(17)14-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,18)(H,14,17).
What are the key properties of 3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide?
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 39339684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).