2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid

C5H5N3O4 — CID 142811350

IUPAC2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid
SMILESO=CNc1noc(CC(=O)O)n1
InChIInChI=1S/C5H5N3O4/c9-2-6-5-7-3(12-8-5)1-4(10)11/h2H,1H2,(H,10,11)(H,6,8,9)
InChIKeyBYIVGJBXVKOPAJ-UHFFFAOYSA-N
MW171.11 g/mol
LogP-0.74
Rot. Bonds4

About 2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid

2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid (PubChem CID 142811350) has the molecular formula C5H5N3O4 and a molecular weight of 171.11 g/mol. Its IUPAC name is 2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid
PubChem CID142811350
Molecular FormulaC5H5N3O4
Molecular Weight171.11 g/mol
Exact Mass171.03
IUPAC Name2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid
SMILESO=CNc1noc(CC(=O)O)n1
InChIInChI=1S/C5H5N3O4/c9-2-6-5-7-3(12-8-5)1-4(10)11/h2H,1H2,(H,10,11)(H,6,8,9)
InChIKeyBYIVGJBXVKOPAJ-UHFFFAOYSA-N
XLogP-0.74
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(3-formamido-1,2,4-oxadiazol-5-yl)acetate
CID 85872168
2-(3-Amino-1,2,4-oxadiazol-5-yl)acetic acid
CID 55290039
2-[3-(Cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid
CID 84658883
2-[3-(Dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid
CID 116799732
2-[3-[Ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid
CID 116808687

Frequently Asked Questions

What is the IUPAC name of 2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid (CID 142811350) is 2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid is O=CNc1noc(CC(=O)O)n1.
What is the InChIKey of 2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid?
The InChIKey is BYIVGJBXVKOPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O4/c9-2-6-5-7-3(12-8-5)1-4(10)11/h2H,1H2,(H,10,11)(H,6,8,9).
What are the key properties of 2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid?
2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid has a molecular weight of 171.11 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid is sourced from PubChem (CID 142811350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).