N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide

C19H25N3O2 — CID 46290783

IUPACN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCc2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C19H25N3O2/c1-14-7-6-10-16(13-14)19(23)22(2)12-11-17-20-18(24-21-17)15-8-4-3-5-9-15/h6-7,10,13,15H,3-5,8-9,11-12H2,1-2H3
InChIKeyZNYCFDLQLGOCJV-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide

N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide (PubChem CID 46290783) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
PubChem CID46290783
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCc2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C19H25N3O2/c1-14-7-6-10-16(13-14)19(23)22(2)12-11-17-20-18(24-21-17)15-8-4-3-5-9-15/h6-7,10,13,15H,3-5,8-9,11-12H2,1-2H3
InChIKeyZNYCFDLQLGOCJV-UHFFFAOYSA-N
XLogP3.74
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide
CID 53055562
N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 72912208
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 53055565
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-phenylsulfanylacetamide
CID 53055557
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 50954397
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea
CID 53055097
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide
CID 50960712
3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea
CID 53055086
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide
CID 53055789
5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 146130161

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide?
The IUPAC name of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide (CID 46290783) is N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)CCc2noc(C3CCCCC3)n2)c1.
What is the InChIKey of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide?
The InChIKey is ZNYCFDLQLGOCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-7-6-10-16(13-14)19(23)22(2)12-11-17-20-18(24-21-17)15-8-4-3-5-9-15/h6-7,10,13,15H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide?
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide has a molecular weight of 327.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 46290783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).