4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen

C15H12N2O5 — CID 145498654

IUPAC4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen
SMILESO=C(O)c1ccc(O)c(-c2noc(-c3ccc(O)cc3)n2)c1.[H][H]
InChIInChI=1S/C15H10N2O5.H2/c18-10-4-1-8(2-5-10)14-16-13(17-22-14)11-7-9(15(20)21)3-6-12(11)19;/h1-7,18-19H,(H,20,21);1H
InChIKeyIIFXQDHMWPQZQC-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.76
Rot. Bonds3

About 4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen

4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen (PubChem CID 145498654) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen.

Molecular Properties

Compound Name4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen
PubChem CID145498654
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen
SMILESO=C(O)c1ccc(O)c(-c2noc(-c3ccc(O)cc3)n2)c1.[H][H]
InChIInChI=1S/C15H10N2O5.H2/c18-10-4-1-8(2-5-10)14-16-13(17-22-14)11-7-9(15(20)21)3-6-12(11)19;/h1-7,18-19H,(H,20,21);1H
InChIKeyIIFXQDHMWPQZQC-UHFFFAOYSA-N
XLogP2.76
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 135924137
3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
CID 135924122
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11818444
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
CID 91051378
4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 129038073
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136673921

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen?
The IUPAC name of 4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen (CID 145498654) is 4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen.
What is the SMILES notation for 4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen?
The canonical SMILES for 4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen is O=C(O)c1ccc(O)c(-c2noc(-c3ccc(O)cc3)n2)c1.[H][H].
What is the InChIKey of 4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen?
The InChIKey is IIFXQDHMWPQZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O5.H2/c18-10-4-1-8(2-5-10)14-16-13(17-22-14)11-7-9(15(20)21)3-6-12(11)19;/h1-7,18-19H,(H,20,21);1H.
What are the key properties of 4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen?
4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen has a molecular weight of 300.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen is sourced from PubChem (CID 145498654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).