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

C14H21N3O3 — CID 119065918

IUPACN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide
SMILESCN(Cc1noc(C2CCC2)n1)C(=O)CC1CCOC1
InChIInChI=1S/C14H21N3O3/c1-17(13(18)7-10-5-6-19-9-10)8-12-15-14(20-16-12)11-3-2-4-11/h10-11H,2-9H2,1H3
InChIKeySHACPEZDKSYIMD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.72
Rot. Bonds5

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

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide (PubChem CID 119065918) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide
PubChem CID119065918
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide
SMILESCN(Cc1noc(C2CCC2)n1)C(=O)CC1CCOC1
InChIInChI=1S/C14H21N3O3/c1-17(13(18)7-10-5-6-19-9-10)8-12-15-14(20-16-12)11-3-2-4-11/h10-11H,2-9H2,1H3
InChIKeySHACPEZDKSYIMD-UHFFFAOYSA-N
XLogP1.72
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide?
The IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide (CID 119065918) is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide.
What is the SMILES notation for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide?
The canonical SMILES for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide is CN(Cc1noc(C2CCC2)n1)C(=O)CC1CCOC1.
What is the InChIKey of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide?
The InChIKey is SHACPEZDKSYIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(13(18)7-10-5-6-19-9-10)8-12-15-14(20-16-12)11-3-2-4-11/h10-11H,2-9H2,1H3.
What are the key properties of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide?
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.72, 5 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]-N-methyl-2-(oxolan-3-yl)acetamide is sourced from PubChem (CID 119065918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).