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

C18H22FN3O2 — CID 53055562

IUPACN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide
SMILESCN(CCc1noc(C2CCCCC2)n1)C(=O)c1cccc(F)c1
InChIInChI=1S/C18H22FN3O2/c1-22(18(23)14-8-5-9-15(19)12-14)11-10-16-20-17(24-21-16)13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3
InChIKeyNATRSMMASYATCV-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.57
Rot. Bonds5

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

N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide (PubChem CID 53055562) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide
PubChem CID53055562
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide
SMILESCN(CCc1noc(C2CCCCC2)n1)C(=O)c1cccc(F)c1
InChIInChI=1S/C18H22FN3O2/c1-22(18(23)14-8-5-9-15(19)12-14)11-10-16-20-17(24-21-16)13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3
InChIKeyNATRSMMASYATCV-UHFFFAOYSA-N
XLogP3.57
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
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
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-ethylphenyl)-1-methylurea
CID 53055084
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea
CID 53055097
3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 50765623
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea
CID 53055100
3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea
CID 53055086
3-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055744
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 50954397

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide?
The IUPAC name of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide (CID 53055562) is N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide is CN(CCc1noc(C2CCCCC2)n1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide?
The InChIKey is NATRSMMASYATCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-22(18(23)14-8-5-9-15(19)12-14)11-10-16-20-17(24-21-16)13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3.
What are the key properties of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide?
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide has a molecular weight of 331.39 g/mol, XLogP of 3.57, 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]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 53055562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).