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

C11H12N4O2 — CID 134155619

IUPAC2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESNCC(=O)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H12N4O2/c12-6-9(16)13-7-10-14-15-11(17-10)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,16)
InChIKeyUMXYXILAIFJACO-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.31
Rot. Bonds4

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

2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 134155619) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID134155619
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESNCC(=O)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H12N4O2/c12-6-9(16)13-7-10-14-15-11(17-10)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,16)
InChIKeyUMXYXILAIFJACO-UHFFFAOYSA-N
XLogP0.31
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 134155619) is 2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is NCC(=O)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is UMXYXILAIFJACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-6-9(16)13-7-10-14-15-11(17-10)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,16).
What are the key properties of 2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 232.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 134155619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).