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

C11H9NO4 — CID 105473490

IUPAC5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)oc1-c1cccc(O)c1
InChIInChI=1S/C11H9NO4/c1-6-9(16-10(12-6)11(14)15)7-3-2-4-8(13)5-7/h2-5,13H,1H3,(H,14,15)
InChIKeyOVIKRIDRNNVNAS-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.05
Rot. Bonds2

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

5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid (PubChem CID 105473490) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid
PubChem CID105473490
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)oc1-c1cccc(O)c1
InChIInChI=1S/C11H9NO4/c1-6-9(16-10(12-6)11(14)15)7-3-2-4-8(13)5-7/h2-5,13H,1H3,(H,14,15)
InChIKeyOVIKRIDRNNVNAS-UHFFFAOYSA-N
XLogP2.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol
CID 139763910
3-(3-amino-4-methyl-1,2-oxazol-5-yl)phenol
CID 105444092
2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140162
2-chloro-5-(3-hydroxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 84688770
2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid
CID 22764945
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960
methyl 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685435
3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
CID 10470825
5-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 39240671
4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid
CID 82400699
5-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355680
5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole
CID 102974766

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid (CID 105473490) is 5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid is Cc1nc(C(=O)O)oc1-c1cccc(O)c1.
What is the InChIKey of 5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid?
The InChIKey is OVIKRIDRNNVNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-6-9(16-10(12-6)11(14)15)7-3-2-4-8(13)5-7/h2-5,13H,1H3,(H,14,15).
What are the key properties of 5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid?
5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 105473490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).