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

C12H20N4O2 — CID 54903476

IUPACN-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
SMILESCc1noc(CNCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H20N4O2/c1-9-14-12(18-16-9)8-13-7-11(17)15-10-5-3-2-4-6-10/h10,13H,2-8H2,1H3,(H,15,17)
InChIKeyBVUUVUHXTJEVJJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.92
Rot. Bonds5

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

N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide (PubChem CID 54903476) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
PubChem CID54903476
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
SMILESCc1noc(CNCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H20N4O2/c1-9-14-12(18-16-9)8-13-7-11(17)15-10-5-3-2-4-6-10/h10,13H,2-8H2,1H3,(H,15,17)
InChIKeyBVUUVUHXTJEVJJ-UHFFFAOYSA-N
XLogP0.92
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide (CID 54903476) is N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide is Cc1noc(CNCC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The InChIKey is BVUUVUHXTJEVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-14-12(18-16-9)8-13-7-11(17)15-10-5-3-2-4-6-10/h10,13H,2-8H2,1H3,(H,15,17).
What are the key properties of N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 54903476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).