N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide

C19H26N4O2 — CID 50960712

IUPACN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(C(C(=O)N(C)Cc2noc(C3CCC3)n2)N(C)C)c1
InChIInChI=1S/C19H26N4O2/c1-13-7-5-10-15(11-13)17(22(2)3)19(24)23(4)12-16-20-18(25-21-16)14-8-6-9-14/h5,7,10-11,14,17H,6,8-9,12H2,1-4H3
InChIKeyIYMGXCAJBWMORE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.91
Rot. Bonds6

About N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide (PubChem CID 50960712) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide
PubChem CID50960712
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(C(C(=O)N(C)Cc2noc(C3CCC3)n2)N(C)C)c1
InChIInChI=1S/C19H26N4O2/c1-13-7-5-10-15(11-13)17(22(2)3)19(24)23(4)12-16-20-18(25-21-16)14-8-6-9-14/h5,7,10-11,14,17H,6,8-9,12H2,1-4H3
InChIKeyIYMGXCAJBWMORE-UHFFFAOYSA-N
XLogP2.91
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 91843306
3-(2-chloro-6-methylphenyl)-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methylurea
CID 72912400
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
CID 72844296
2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 72885539
(2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 97205674
5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 146130161
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide
CID 91796441
(2R)-2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 97156551
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide
CID 119065918
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 118762456
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
CID 91775502

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide (CID 50960712) is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide is Cc1cccc(C(C(=O)N(C)Cc2noc(C3CCC3)n2)N(C)C)c1.
What is the InChIKey of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide?
The InChIKey is IYMGXCAJBWMORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-7-5-10-15(11-13)17(22(2)3)19(24)23(4)12-16-20-18(25-21-16)14-8-6-9-14/h5,7,10-11,14,17H,6,8-9,12H2,1-4H3.
What are the key properties of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide?
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 50960712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).