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

C18H18N4O2 — CID 60537513

IUPAC2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCc1cccc(-c2noc(CNc3cccc(C(N)=O)c3C)n2)c1
InChIInChI=1S/C18H18N4O2/c1-11-5-3-6-13(9-11)18-21-16(24-22-18)10-20-15-8-4-7-14(12(15)2)17(19)23/h3-9,20H,10H2,1-2H3,(H2,19,23)
InChIKeyPXNMTAQWMAUWFP-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.06
Rot. Bonds5

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

2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (PubChem CID 60537513) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
PubChem CID60537513
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCc1cccc(-c2noc(CNc3cccc(C(N)=O)c3C)n2)c1
InChIInChI=1S/C18H18N4O2/c1-11-5-3-6-13(9-11)18-21-16(24-22-18)10-20-15-8-4-7-14(12(15)2)17(19)23/h3-9,20H,10H2,1-2H3,(H2,19,23)
InChIKeyPXNMTAQWMAUWFP-UHFFFAOYSA-N
XLogP3.06
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 87029316
methyl 2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamothioylamino]benzoate
CID 100758617
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
[3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone
CID 86874889
1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
[2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894978
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322827
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylprop-2-enamide
CID 71951744
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide
CID 132653294
2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55897568
N-[2-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
CID 34068502
2-benzylsulfanyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8796677

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The IUPAC name of 2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (CID 60537513) is 2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for 2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The canonical SMILES for 2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is Cc1cccc(-c2noc(CNc3cccc(C(N)=O)c3C)n2)c1.
What is the InChIKey of 2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The InChIKey is PXNMTAQWMAUWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-5-3-6-13(9-11)18-21-16(24-22-18)10-20-15-8-4-7-14(12(15)2)17(19)23/h3-9,20H,10H2,1-2H3,(H2,19,23).
What are the key properties of 2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide has a molecular weight of 322.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 60537513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).