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

C17H21N3O2 — CID 1251501

IUPAC2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H21N3O2/c21-15(11-13-7-3-1-4-8-13)18-12-16-19-17(20-22-16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,21)
InChIKeyRQLXRNJONCBOFU-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.32
Rot. Bonds5

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

2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 1251501) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID1251501
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H21N3O2/c21-15(11-13-7-3-1-4-8-13)18-12-16-19-17(20-22-16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,21)
InChIKeyRQLXRNJONCBOFU-UHFFFAOYSA-N
XLogP3.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 1251501) is 2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is O=C(CC1CCCCC1)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is RQLXRNJONCBOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-15(11-13-7-3-1-4-8-13)18-12-16-19-17(20-22-16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,21).
What are the key properties of 2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 1251501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).