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

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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).