N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide

C13H14N4O3 — CID 71852002

IUPACN-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide
SMILESCNC(=O)Cc1noc(-c2cccc(C(=O)NC)c2)n1
InChIInChI=1S/C13H14N4O3/c1-14-11(18)7-10-16-13(20-17-10)9-5-3-4-8(6-9)12(19)15-2/h3-6H,7H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyGRJQURMJECNVNA-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.38
Rot. Bonds4

About N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide

N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 71852002) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID71852002
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide
SMILESCNC(=O)Cc1noc(-c2cccc(C(=O)NC)c2)n1
InChIInChI=1S/C13H14N4O3/c1-14-11(18)7-10-16-13(20-17-10)9-5-3-4-8(6-9)12(19)15-2/h3-6H,7H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyGRJQURMJECNVNA-UHFFFAOYSA-N
XLogP0.38
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide
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2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
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2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71919450
N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
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N-methyl-2-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]acetamide
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N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
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CID 20973301
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 50755617
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide
CID 27211176
N-(2,3-dichlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide (CID 71852002) is N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide is CNC(=O)Cc1noc(-c2cccc(C(=O)NC)c2)n1.
What is the InChIKey of N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is GRJQURMJECNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-14-11(18)7-10-16-13(20-17-10)9-5-3-4-8(6-9)12(19)15-2/h3-6H,7H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide?
N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 274.28 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 71852002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).