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

C20H20N4O3 — CID 167849389

IUPACN-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1ccc(NC(=O)Cc2noc(CN(C)C(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-14-8-10-16(11-9-14)21-18(25)12-17-22-19(27-23-17)13-24(2)20(26)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,25)
InChIKeyZTGUGZUNGGKFJV-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.83
Rot. Bonds6

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

N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 167849389) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID167849389
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1ccc(NC(=O)Cc2noc(CN(C)C(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-14-8-10-16(11-9-14)21-18(25)12-17-22-19(27-23-17)13-24(2)20(26)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,25)
InChIKeyZTGUGZUNGGKFJV-UHFFFAOYSA-N
XLogP2.83
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835651
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(4-methylphenyl)urea
CID 27261038
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
CID 51108291
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 120750434
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 75524613
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 43819055
3-(4-fluorophenyl)-1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6462162

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 167849389) is N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is Cc1ccc(NC(=O)Cc2noc(CN(C)C(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is ZTGUGZUNGGKFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-8-10-16(11-9-14)21-18(25)12-17-22-19(27-23-17)13-24(2)20(26)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 167849389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).