2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid

C10H8N4O4 — CID 66703190

IUPAC2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2ccccn2)no1
InChIInChI=1S/C10H8N4O4/c15-7(16)5-12-9(17)10-13-8(14-18-10)6-3-1-2-4-11-6/h1-4H,5H2,(H,12,17)(H,15,16)
InChIKeyONNVPYJGHUQLCI-UHFFFAOYSA-N
MW248.20 g/mol
LogP-0.05
Rot. Bonds4

About 2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid

2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid (PubChem CID 66703190) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid
PubChem CID66703190
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2ccccn2)no1
InChIInChI=1S/C10H8N4O4/c15-7(16)5-12-9(17)10-13-8(14-18-10)6-3-1-2-4-11-6/h1-4H,5H2,(H,12,17)(H,15,16)
InChIKeyONNVPYJGHUQLCI-UHFFFAOYSA-N
XLogP-0.05
TPSA118.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42537666
N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569058
N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581632
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 98192387
N-[2-(1H-indol-3-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581080
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569131
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
CID 135879617
7-phenyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)heptan-1-one
CID 24951001
3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 22521001
2-benzamidoacetic acid;hydrofluoride
CID 174760685
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid (CID 66703190) is 2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1nc(-c2ccccn2)no1.
What is the InChIKey of 2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid?
The InChIKey is ONNVPYJGHUQLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c15-7(16)5-12-9(17)10-13-8(14-18-10)6-3-1-2-4-11-6/h1-4H,5H2,(H,12,17)(H,15,16).
What are the key properties of 2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid?
2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid has a molecular weight of 248.20 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 66703190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).