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

C5H8N4O3 — CID 2057128

IUPAC4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCO
InChIInChI=1S/C5H8N4O3/c6-4-3(8-12-9-4)5(11)7-1-2-10/h10H,1-2H2,(H2,6,9)(H,7,11)
InChIKeyITWBAWFIDQURGF-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.63
Rot. Bonds3

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

4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 2057128) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID2057128
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Name4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCO
InChIInChI=1S/C5H8N4O3/c6-4-3(8-12-9-4)5(11)7-1-2-10/h10H,1-2H2,(H2,6,9)(H,7,11)
InChIKeyITWBAWFIDQURGF-UHFFFAOYSA-N
XLogP-1.63
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide (CID 2057128) is 4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCO.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ITWBAWFIDQURGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c6-4-3(8-12-9-4)5(11)7-1-2-10/h10H,1-2H2,(H2,6,9)(H,7,11).
What are the key properties of 4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 172.14 g/mol, XLogP of -1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 2057128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).