2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid

C12H11NO3 — CID 105470681

IUPAC2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid
SMILESCCc1ocnc1-c1ccccc1C(=O)O
InChIInChI=1S/C12H11NO3/c1-2-10-11(13-7-16-10)8-5-3-4-6-9(8)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyHAJIRKXQKIEDBU-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.60
Rot. Bonds3

About 2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid

2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid (PubChem CID 105470681) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid
PubChem CID105470681
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid
SMILESCCc1ocnc1-c1ccccc1C(=O)O
InChIInChI=1S/C12H11NO3/c1-2-10-11(13-7-16-10)8-5-3-4-6-9(8)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyHAJIRKXQKIEDBU-UHFFFAOYSA-N
XLogP2.60
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-ethyl-1,3-oxazol-4-yl)phenyl]ethanamine
CID 105470054
acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid
CID 174788541
2-(2-propanoylphenyl)benzoic acid
CID 15194783
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
CID 175134431
2-ethylbenzoic acid;tungsten
CID 23518478
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
decane;phthalic acid
CID 158763790
5-ethyl-4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 105492203
2-(2-heptoxyphenyl)benzoic acid
CID 70433575
2-(2-ethylthiophen-3-yl)benzoic acid
CID 141484344

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid?
The IUPAC name of 2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid (CID 105470681) is 2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid.
What is the SMILES notation for 2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid?
The canonical SMILES for 2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid is CCc1ocnc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid?
The InChIKey is HAJIRKXQKIEDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-10-11(13-7-16-10)8-5-3-4-6-9(8)12(14)15/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid?
2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid has a molecular weight of 217.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,3-oxazol-4-yl)benzoic acid is sourced from PubChem (CID 105470681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).