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

C12H11NO4 — CID 105492203

IUPAC5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid
SMILESCCc1oc(C(=O)O)nc1-c1ccccc1O
InChIInChI=1S/C12H11NO4/c1-2-9-10(13-11(17-9)12(15)16)7-5-3-4-6-8(7)14/h3-6,14H,2H2,1H3,(H,15,16)
InChIKeyDTTMFOWWZAYSFM-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.31
Rot. Bonds3

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

5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 105492203) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid
PubChem CID105492203
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid
SMILESCCc1oc(C(=O)O)nc1-c1ccccc1O
InChIInChI=1S/C12H11NO4/c1-2-9-10(13-11(17-9)12(15)16)7-5-3-4-6-8(7)14/h3-6,14H,2H2,1H3,(H,15,16)
InChIKeyDTTMFOWWZAYSFM-UHFFFAOYSA-N
XLogP2.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
CID 135478439
2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid
CID 105470681
5-benzyl-4-chloro-1,3-oxazole-2-carboxylic acid
CID 96593319
[5-ethyl-4-(2-methylphenyl)-1,3-oxazol-2-yl]methanamine
CID 105470035
5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid
CID 115012127
ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate
CID 143259904
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342
2-(2-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 135044398
2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253
benzene;2-ethylphenol
CID 159726745
2-(4,5-diethyl-1H-imidazol-2-yl)phenol
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4,9-dioxobenzo[f][1,3]benzothiazole-2-carboxylic acid
CID 11010697

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid (CID 105492203) is 5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid is CCc1oc(C(=O)O)nc1-c1ccccc1O.
What is the InChIKey of 5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is DTTMFOWWZAYSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-2-9-10(13-11(17-9)12(15)16)7-5-3-4-6-8(7)14/h3-6,14H,2H2,1H3,(H,15,16).
What are the key properties of 5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid?
5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 105492203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).