N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide

C6H9N3O4 — CID 175516044

IUPACN-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC(=O)NCC(O)c1n[nH]c(=O)o1
InChIInChI=1S/C6H9N3O4/c1-3(10)7-2-4(11)5-8-9-6(12)13-5/h4,11H,2H2,1H3,(H,7,10)(H,9,12)
InChIKeyAQFRKYUNXBYCIG-UHFFFAOYSA-N
MW187.15 g/mol
LogP-1.47
Rot. Bonds3

About N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide

N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 175516044) has the molecular formula C6H9N3O4 and a molecular weight of 187.15 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID175516044
Molecular FormulaC6H9N3O4
Molecular Weight187.15 g/mol
Exact Mass187.06
IUPAC NameN-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC(=O)NCC(O)c1n[nH]c(=O)o1
InChIInChI=1S/C6H9N3O4/c1-3(10)7-2-4(11)5-8-9-6(12)13-5/h4,11H,2H2,1H3,(H,7,10)(H,9,12)
InChIKeyAQFRKYUNXBYCIG-UHFFFAOYSA-N
XLogP-1.47
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide (CID 175516044) is N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide is CC(=O)NCC(O)c1n[nH]c(=O)o1.
What is the InChIKey of N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is AQFRKYUNXBYCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4/c1-3(10)7-2-4(11)5-8-9-6(12)13-5/h4,11H,2H2,1H3,(H,7,10)(H,9,12).
What are the key properties of N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide?
N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 187.15 g/mol, XLogP of -1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 175516044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).