2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide

C5H9N5O2 — CID 107436380

IUPAC2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide
SMILESNC(=O)CNCc1nc(N)no1
InChIInChI=1S/C5H9N5O2/c6-3(11)1-8-2-4-9-5(7)10-12-4/h8H,1-2H2,(H2,6,11)(H2,7,10)
InChIKeyPOOBJQBPWXTBPW-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.77
Rot. Bonds4

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

2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide (PubChem CID 107436380) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide
PubChem CID107436380
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide
SMILESNC(=O)CNCc1nc(N)no1
InChIInChI=1S/C5H9N5O2/c6-3(11)1-8-2-4-9-5(7)10-12-4/h8H,1-2H2,(H2,6,11)(H2,7,10)
InChIKeyPOOBJQBPWXTBPW-UHFFFAOYSA-N
XLogP-1.77
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The IUPAC name of 2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide (CID 107436380) is 2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The canonical SMILES for 2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide is NC(=O)CNCc1nc(N)no1.
What is the InChIKey of 2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The InChIKey is POOBJQBPWXTBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c6-3(11)1-8-2-4-9-5(7)10-12-4/h8H,1-2H2,(H2,6,11)(H2,7,10).
What are the key properties of 2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide has a molecular weight of 171.16 g/mol, XLogP of -1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 107436380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).