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

C16H14N2O5 — CID 145498649

IUPAC2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESCOc1cccc(C2N=C(c3cccc(C(=O)O)c3O)NO2)c1
InChIInChI=1S/C16H14N2O5/c1-22-10-5-2-4-9(8-10)15-17-14(18-23-15)11-6-3-7-12(13(11)19)16(20)21/h2-8,15,19H,1H3,(H,17,18)(H,20,21)
InChIKeyUXFMKRSBZGHKEX-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.08
Rot. Bonds4

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

2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 145498649) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
PubChem CID145498649
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESCOc1cccc(C2N=C(c3cccc(C(=O)O)c3O)NO2)c1
InChIInChI=1S/C16H14N2O5/c1-22-10-5-2-4-9(8-10)15-17-14(18-23-15)11-6-3-7-12(13(11)19)16(20)21/h2-8,15,19H,1H3,(H,17,18)(H,20,21)
InChIKeyUXFMKRSBZGHKEX-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

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(1S,2S,10R,11R,12R)-10-(3-methoxyphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-7-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
The IUPAC name of 2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid (CID 145498649) is 2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid is COc1cccc(C2N=C(c3cccc(C(=O)O)c3O)NO2)c1.
What is the InChIKey of 2-hydroxy-3-[5-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
The InChIKey is UXFMKRSBZGHKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-22-10-5-2-4-9(8-10)15-17-14(18-23-15)11-6-3-7-12(13(11)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-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
2-hydroxy-3-[5-(3-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-(3-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 145498649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).