2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid

C18H15N3O5 — CID 135800175

IUPAC2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid
SMILESO=C(CCc1nnc(-c2ccc(O)cc2)o1)Nc1ccccc1C(=O)O
InChIInChI=1S/C18H15N3O5/c22-12-7-5-11(6-8-12)17-21-20-16(26-17)10-9-15(23)19-14-4-2-1-3-13(14)18(24)25/h1-8,22H,9-10H2,(H,19,23)(H,24,25)
InChIKeyKFOWXNJOAUAKBU-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.71
Rot. Bonds6

About 2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid

2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid (PubChem CID 135800175) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid
PubChem CID135800175
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid
SMILESO=C(CCc1nnc(-c2ccc(O)cc2)o1)Nc1ccccc1C(=O)O
InChIInChI=1S/C18H15N3O5/c22-12-7-5-11(6-8-12)17-21-20-16(26-17)10-9-15(23)19-14-4-2-1-3-13(14)18(24)25/h1-8,22H,9-10H2,(H,19,23)(H,24,25)
InChIKeyKFOWXNJOAUAKBU-UHFFFAOYSA-N
XLogP2.71
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid?
The IUPAC name of 2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid (CID 135800175) is 2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid is O=C(CCc1nnc(-c2ccc(O)cc2)o1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid?
The InChIKey is KFOWXNJOAUAKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c22-12-7-5-11(6-8-12)17-21-20-16(26-17)10-9-15(23)19-14-4-2-1-3-13(14)18(24)25/h1-8,22H,9-10H2,(H,19,23)(H,24,25).
What are the key properties of 2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid?
2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid has a molecular weight of 353.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoic acid is sourced from PubChem (CID 135800175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).