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

C12H11NO3 — CID 105470676

IUPAC3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid
SMILESCCc1ocnc1-c1cccc(C(=O)O)c1
InChIInChI=1S/C12H11NO3/c1-2-10-11(13-7-16-10)8-4-3-5-9(6-8)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyJWPUKBGTTDEUBS-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.60
Rot. Bonds3

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

3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid (PubChem CID 105470676) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid
PubChem CID105470676
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid
SMILESCCc1ocnc1-c1cccc(C(=O)O)c1
InChIInChI=1S/C12H11NO3/c1-2-10-11(13-7-16-10)8-4-3-5-9(6-8)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyJWPUKBGTTDEUBS-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-(5-ethyl-1,3-oxazol-4-yl)benzoic acid
CID 105470681
3-(2-ethylpyrimidin-4-yl)benzoic acid
CID 105485424
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(3,6-dimethylpyrazin-2-yl)benzoic acid
CID 118227401
3-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzoic acid
CID 18613280
2-[4-(3,4-dimethylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82128624
3-(5-ethoxycarbonyl-2H-triazol-4-yl)benzoic acid
CID 169399258
3-[3-(3-carboxyphenyl)-6-chloroquinoxalin-2-yl]benzoic acid
CID 139724557
3-(4-butylphenyl)benzoic acid
CID 2757303
3-ethylbenzoic acid;propane
CID 177324794
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
3-(5-pentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382298

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid?
The IUPAC name of 3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid (CID 105470676) is 3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid.
What is the SMILES notation for 3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid?
The canonical SMILES for 3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid is CCc1ocnc1-c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid?
The InChIKey is JWPUKBGTTDEUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-10-11(13-7-16-10)8-4-3-5-9(6-8)12(14)15/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid?
3-(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 3-(5-ethyl-1,3-oxazol-4-yl)benzoic acid is sourced from PubChem (CID 105470676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).