4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid

C19H17NO5 — CID 153347903

IUPAC4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid
SMILESCc1noc(C)c1-c1cc(O)cc(C(O)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C19H17NO5/c1-10-17(11(2)25-20-10)14-7-15(9-16(21)8-14)18(22)12-3-5-13(6-4-12)19(23)24/h3-9,18,21-22H,1-2H3,(H,23,24)
InChIKeyFIPZNKXEEJQQSV-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.44
Rot. Bonds4

About 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid

4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid (PubChem CID 153347903) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid
PubChem CID153347903
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid
SMILESCc1noc(C)c1-c1cc(O)cc(C(O)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C19H17NO5/c1-10-17(11(2)25-20-10)14-7-15(9-16(21)8-14)18(22)12-3-5-13(6-4-12)19(23)24/h3-9,18,21-22H,1-2H3,(H,23,24)
InChIKeyFIPZNKXEEJQQSV-UHFFFAOYSA-N
XLogP3.44
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
4-(3-hydroxy-5-methylphenyl)benzoic acid
CID 53218919
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 165455449
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol
CID 144547403
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol
CID 71290976
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylanilino)benzoic acid
CID 90375881

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid?
The IUPAC name of 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid (CID 153347903) is 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid.
What is the SMILES notation for 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid?
The canonical SMILES for 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid is Cc1noc(C)c1-c1cc(O)cc(C(O)c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid?
The InChIKey is FIPZNKXEEJQQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-10-17(11(2)25-20-10)14-7-15(9-16(21)8-14)18(22)12-3-5-13(6-4-12)19(23)24/h3-9,18,21-22H,1-2H3,(H,23,24).
What are the key properties of 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid?
4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid has a molecular weight of 339.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-hydroxymethyl]benzoic acid is sourced from PubChem (CID 153347903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).