2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid

C13H13NO3 — CID 105489126

IUPAC2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid
SMILESCCc1ocnc1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H13NO3/c1-2-11-13(14-8-17-11)10-5-3-9(4-6-10)7-12(15)16/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyHPJLVABGSHQJGL-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.53
Rot. Bonds4

About 2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid

2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid (PubChem CID 105489126) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid
PubChem CID105489126
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid
SMILESCCc1ocnc1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H13NO3/c1-2-11-13(14-8-17-11)10-5-3-9(4-6-10)7-12(15)16/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyHPJLVABGSHQJGL-UHFFFAOYSA-N
XLogP2.53
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-dimethylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82128624
4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid
CID 82294621
2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid
CID 82477699
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39349792
2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid
CID 91879301
2-[4-(5-decylpyrimidin-2-yl)phenyl]acetic acid
CID 70283460
3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
CID 82131272
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
2-[4-(acetyloxymethyl)phenyl]acetic acid
CID 15224349
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid (CID 105489126) is 2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid is CCc1ocnc1-c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid?
The InChIKey is HPJLVABGSHQJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-11-13(14-8-17-11)10-5-3-9(4-6-10)7-12(15)16/h3-6,8H,2,7H2,1H3,(H,15,16).
What are the key properties of 2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid?
2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid has a molecular weight of 231.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid is sourced from PubChem (CID 105489126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).