2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid

C10H9N3O5 — CID 136710745

IUPAC2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(-c2ccc(=O)[nH]c2)o1
InChIInChI=1S/C10H9N3O5/c14-7-2-1-6(3-11-7)10-13-12-8(18-10)4-17-5-9(15)16/h1-3H,4-5H2,(H,11,14)(H,15,16)
InChIKeyJKKNCIQUZUWBGE-UHFFFAOYSA-N
MW251.20 g/mol
LogP0.03
Rot. Bonds5

About 2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid

2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (PubChem CID 136710745) has the molecular formula C10H9N3O5 and a molecular weight of 251.20 g/mol. Its IUPAC name is 2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
PubChem CID136710745
Molecular FormulaC10H9N3O5
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC Name2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(-c2ccc(=O)[nH]c2)o1
InChIInChI=1S/C10H9N3O5/c14-7-2-1-6(3-11-7)10-13-12-8(18-10)4-17-5-9(15)16/h1-3H,4-5H2,(H,11,14)(H,15,16)
InChIKeyJKKNCIQUZUWBGE-UHFFFAOYSA-N
XLogP0.03
TPSA118.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 135969087
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61329835
2-[[5-(3-bromo-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 81475602
2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327899
2-[[5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327708
2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 106855287
2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327522
2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 65216400
2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 79749471
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327335
5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 136710837
2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 114103591

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (CID 136710745) is 2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is O=C(O)COCc1nnc(-c2ccc(=O)[nH]c2)o1.
What is the InChIKey of 2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The InChIKey is JKKNCIQUZUWBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5/c14-7-2-1-6(3-11-7)10-13-12-8(18-10)4-17-5-9(15)16/h1-3H,4-5H2,(H,11,14)(H,15,16).
What are the key properties of 2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid has a molecular weight of 251.20 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 136710745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).