N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide

C4H5ClN4O2 — CID 536888

IUPACN-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide
SMILESNc1nonc1NC(=O)CCl
InChIInChI=1S/C4H5ClN4O2/c5-1-2(10)7-4-3(6)8-11-9-4/h1H2,(H2,6,8)(H,7,9,10)
InChIKeyWIKLXLLRMHNFIV-UHFFFAOYSA-N
MW176.56 g/mol
LogP-0.17
Rot. Bonds2

About N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide (PubChem CID 536888) has the molecular formula C4H5ClN4O2 and a molecular weight of 176.56 g/mol. Its IUPAC name is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide
PubChem CID536888
Molecular FormulaC4H5ClN4O2
Molecular Weight176.56 g/mol
Exact Mass176.01
IUPAC NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide
SMILESNc1nonc1NC(=O)CCl
InChIInChI=1S/C4H5ClN4O2/c5-1-2(10)7-4-3(6)8-11-9-4/h1H2,(H2,6,8)(H,7,9,10)
InChIKeyWIKLXLLRMHNFIV-UHFFFAOYSA-N
XLogP-0.17
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.56
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide?
The IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide (CID 536888) is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide.
What is the SMILES notation for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide?
The canonical SMILES for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide is Nc1nonc1NC(=O)CCl.
What is the InChIKey of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide?
The InChIKey is WIKLXLLRMHNFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4O2/c5-1-2(10)7-4-3(6)8-11-9-4/h1H2,(H2,6,8)(H,7,9,10).
What are the key properties of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide?
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide has a molecular weight of 176.56 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-chloroacetamide is sourced from PubChem (CID 536888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).