2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid

C16H14N2O5 — CID 145498659

IUPAC2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESCOc1ccccc1C1N=C(c2cccc(C(=O)O)c2O)NO1
InChIInChI=1S/C16H14N2O5/c1-22-12-8-3-2-5-9(12)15-17-14(18-23-15)10-6-4-7-11(13(10)19)16(20)21/h2-8,15,19H,1H3,(H,17,18)(H,20,21)
InChIKeyOGHSCKWQEZFMNM-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.08
Rot. Bonds4

About 2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid

2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 145498659) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
PubChem CID145498659
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESCOc1ccccc1C1N=C(c2cccc(C(=O)O)c2O)NO1
InChIInChI=1S/C16H14N2O5/c1-22-12-8-3-2-5-9(12)15-17-14(18-23-15)10-6-4-7-11(13(10)19)16(20)21/h2-8,15,19H,1H3,(H,17,18)(H,20,21)
InChIKeyOGHSCKWQEZFMNM-UHFFFAOYSA-N
XLogP2.08
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
CID 145498649
4-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
CID 89329101
2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 150707382
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
CID 19594924
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
CID 174552806
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
3-(2-methoxyphenyl)-2-nitrobenzoic acid
CID 141393967

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
The IUPAC name of 2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid (CID 145498659) is 2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid is COc1ccccc1C1N=C(c2cccc(C(=O)O)c2O)NO1.
What is the InChIKey of 2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
The InChIKey is OGHSCKWQEZFMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-22-12-8-3-2-5-9(12)15-17-14(18-23-15)10-6-4-7-11(13(10)19)16(20)21/h2-8,15,19H,1H3,(H,17,18)(H,20,21).
What are the key properties of 2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid has a molecular weight of 314.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 145498659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).