N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide

C16H27N3O3 — CID 138027331

IUPACN-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide
SMILESCCC(OC1CCCCC1)c1nc(CCN(C)C(C)=O)no1
InChIInChI=1S/C16H27N3O3/c1-4-14(21-13-8-6-5-7-9-13)16-17-15(18-22-16)10-11-19(3)12(2)20/h13-14H,4-11H2,1-3H3
InChIKeyYHULZBPSVYOATP-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.89
Rot. Bonds7

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

N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide (PubChem CID 138027331) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide
PubChem CID138027331
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide
SMILESCCC(OC1CCCCC1)c1nc(CCN(C)C(C)=O)no1
InChIInChI=1S/C16H27N3O3/c1-4-14(21-13-8-6-5-7-9-13)16-17-15(18-22-16)10-11-19(3)12(2)20/h13-14H,4-11H2,1-3H3
InChIKeyYHULZBPSVYOATP-UHFFFAOYSA-N
XLogP2.89
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide 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

5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole
CID 154778922
1-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862319
4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one
CID 136561345
ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate
CID 142148174
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 115347250
N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 119066636
[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892639
(2R)-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 126438337
N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 97226046
(2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 91840785
1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 126434571
2-cyclopentyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 53055620

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide?
The IUPAC name of N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide (CID 138027331) is N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide is CCC(OC1CCCCC1)c1nc(CCN(C)C(C)=O)no1.
What is the InChIKey of N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide?
The InChIKey is YHULZBPSVYOATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-4-14(21-13-8-6-5-7-9-13)16-17-15(18-22-16)10-11-19(3)12(2)20/h13-14H,4-11H2,1-3H3.
What are the key properties of N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide?
N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide has a molecular weight of 309.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide is sourced from PubChem (CID 138027331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).