N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide

C7H11N5O3 — CID 537871

IUPACN-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1nonc1N
InChIInChI=1S/C7H11N5O3/c1-4(13)9-2-3-10-7(14)5-6(8)12-15-11-5/h2-3H2,1H3,(H2,8,12)(H,9,13)(H,10,14)
InChIKeyFTVOATUNYKNYIO-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.48
Rot. Bonds4

About N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide

N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide (PubChem CID 537871) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide
PubChem CID537871
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC NameN-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1nonc1N
InChIInChI=1S/C7H11N5O3/c1-4(13)9-2-3-10-7(14)5-6(8)12-15-11-5/h2-3H2,1H3,(H2,8,12)(H,9,13)(H,10,14)
InChIKeyFTVOATUNYKNYIO-UHFFFAOYSA-N
XLogP-1.48
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide (CID 537871) is N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide is CC(=O)NCCNC(=O)c1nonc1N.
What is the InChIKey of N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is FTVOATUNYKNYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-4(13)9-2-3-10-7(14)5-6(8)12-15-11-5/h2-3H2,1H3,(H2,8,12)(H,9,13)(H,10,14).
What are the key properties of N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide?
N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 213.20 g/mol, XLogP of -1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 537871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).