3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid

C10H8N2O4 — CID 43307236

IUPAC3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCc2ncno2)c1
InChIInChI=1S/C10H8N2O4/c13-10(14)7-2-1-3-8(4-7)15-5-9-11-6-12-16-9/h1-4,6H,5H2,(H,13,14)
InChIKeyLOXYVLQJYJPFHA-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.35
Rot. Bonds4

About 3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid

3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid (PubChem CID 43307236) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid
PubChem CID43307236
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCc2ncno2)c1
InChIInChI=1S/C10H8N2O4/c13-10(14)7-2-1-3-8(4-7)15-5-9-11-6-12-16-9/h1-4,6H,5H2,(H,13,14)
InChIKeyLOXYVLQJYJPFHA-UHFFFAOYSA-N
XLogP1.35
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019403
3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid
CID 67622923
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
CID 63888033
3-[(4-ethenylphenyl)methoxy]benzoic acid
CID 168678013
2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
3-[(4-butylphenyl)methoxy]benzoic acid
CID 66912959
3-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethoxy]benzoic acid
CID 106419734

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid?
The IUPAC name of 3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid (CID 43307236) is 3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid.
What is the SMILES notation for 3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid?
The canonical SMILES for 3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid is O=C(O)c1cccc(OCc2ncno2)c1.
What is the InChIKey of 3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid?
The InChIKey is LOXYVLQJYJPFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-10(14)7-2-1-3-8(4-7)15-5-9-11-6-12-16-9/h1-4,6H,5H2,(H,13,14).
What are the key properties of 3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid?
3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid has a molecular weight of 220.18 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid is sourced from PubChem (CID 43307236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).