5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C11H11NO4 — CID 115059928

IUPAC5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCC1=NC(C(=O)O)C(c2ccc(O)cc2)O1
InChIInChI=1S/C11H11NO4/c1-6-12-9(11(14)15)10(16-6)7-2-4-8(13)5-3-7/h2-5,9-10,13H,1H3,(H,14,15)
InChIKeyPABZCWAYIMYIIQ-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.34
Rot. Bonds2

About 5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 115059928) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID115059928
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCC1=NC(C(=O)O)C(c2ccc(O)cc2)O1
InChIInChI=1S/C11H11NO4/c1-6-12-9(11(14)15)10(16-6)7-2-4-8(13)5-3-7/h2-5,9-10,13H,1H3,(H,14,15)
InChIKeyPABZCWAYIMYIIQ-UHFFFAOYSA-N
XLogP1.34
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 115059928) is 5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is CC1=NC(C(=O)O)C(c2ccc(O)cc2)O1.
What is the InChIKey of 5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is PABZCWAYIMYIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-6-12-9(11(14)15)10(16-6)7-2-4-8(13)5-3-7/h2-5,9-10,13H,1H3,(H,14,15).
What are the key properties of 5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 115059928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).