4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide

C6H9N3O4 — CID 175516231

IUPAC4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide
SMILESNC(=O)CCC(O)c1n[nH]c(=O)o1
InChIInChI=1S/C6H9N3O4/c7-4(11)2-1-3(10)5-8-9-6(12)13-5/h3,10H,1-2H2,(H2,7,11)(H,9,12)
InChIKeyQCRGMAPHMBVEPR-UHFFFAOYSA-N
MW187.16 g/mol
LogP-1.34
Rot. Bonds4

About 4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide

4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide (PubChem CID 175516231) has the molecular formula C6H9N3O4 and a molecular weight of 187.16 g/mol. Its IUPAC name is 4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide
PubChem CID175516231
Molecular FormulaC6H9N3O4
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide
SMILESNC(=O)CCC(O)c1n[nH]c(=O)o1
InChIInChI=1S/C6H9N3O4/c7-4(11)2-1-3(10)5-8-9-6(12)13-5/h3,10H,1-2H2,(H2,7,11)(H,9,12)
InChIKeyQCRGMAPHMBVEPR-UHFFFAOYSA-N
XLogP-1.34
TPSA122.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide?
The IUPAC name of 4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide (CID 175516231) is 4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for 4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for 4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide is NC(=O)CCC(O)c1n[nH]c(=O)o1.
What is the InChIKey of 4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide?
The InChIKey is QCRGMAPHMBVEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4/c7-4(11)2-1-3(10)5-8-9-6(12)13-5/h3,10H,1-2H2,(H2,7,11)(H,9,12).
What are the key properties of 4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide?
4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide has a molecular weight of 187.16 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 175516231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).