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

C16H19N3O3 — CID 110606908

IUPAC2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESO=C(CC1CCCCO1)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H19N3O3/c20-14(10-13-8-4-5-9-21-13)17-11-15-18-19-16(22-15)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,20)
InChIKeyZVGLXNNDXPJGDR-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.31
Rot. Bonds5

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

2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 110606908) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID110606908
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESO=C(CC1CCCCO1)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H19N3O3/c20-14(10-13-8-4-5-9-21-13)17-11-15-18-19-16(22-15)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,20)
InChIKeyZVGLXNNDXPJGDR-UHFFFAOYSA-N
XLogP2.31
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 126446607
2-(oxan-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]acetamide
CID 110631429
N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 60695092
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]oxolane-2-carboxamide
CID 110320373
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
N-(oxolan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 83278502
1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 110408580
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate
CID 78760189
4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110606896

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 110606908) is 2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is O=C(CC1CCCCO1)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is ZVGLXNNDXPJGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-14(10-13-8-4-5-9-21-13)17-11-15-18-19-16(22-15)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,20).
What are the key properties of 2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110606908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).