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

C20H22N4O2 — CID 118782158

IUPAC3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1noc(CN(C)C(=O)c2cccc(-c3ccc(N(C)C)cc3)c2)n1
InChIInChI=1S/C20H22N4O2/c1-14-21-19(26-22-14)13-24(4)20(25)17-7-5-6-16(12-17)15-8-10-18(11-9-15)23(2)3/h5-12H,13H2,1-4H3
InChIKeyAMFMDYFPPFCFKK-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.38
Rot. Bonds5

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

3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 118782158) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID118782158
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1noc(CN(C)C(=O)c2cccc(-c3ccc(N(C)C)cc3)c2)n1
InChIInChI=1S/C20H22N4O2/c1-14-21-19(26-22-14)13-24(4)20(25)17-7-5-6-16(12-17)15-8-10-18(11-9-15)23(2)3/h5-12H,13H2,1-4H3
InChIKeyAMFMDYFPPFCFKK-UHFFFAOYSA-N
XLogP3.38
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
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
N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluoro-N-methylbenzamide
CID 8835748
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
CID 166241443
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-nitrobenzamide
CID 8836049
N-ethyl-N-methyl-3-(4-methylphenyl)benzamide
CID 145356700
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-nitrobenzamide
CID 99995003
3-chloro-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 50874619
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-prop-2-enoxybenzamide
CID 7692848
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-propan-2-yloxybenzamide
CID 8779213
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100619235
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706341

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 118782158) is 3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is Cc1noc(CN(C)C(=O)c2cccc(-c3ccc(N(C)C)cc3)c2)n1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is AMFMDYFPPFCFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-21-19(26-22-14)13-24(4)20(25)17-7-5-6-16(12-17)15-8-10-18(11-9-15)23(2)3/h5-12H,13H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 118782158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).