2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid

C18H15NO4 — CID 100503714

IUPAC2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)O)o2)cc1
InChIInChI=1S/C18H15NO4/c1-2-22-13-9-7-12(8-10-13)16-11-19-17(23-16)14-5-3-4-6-15(14)18(20)21/h3-11H,2H2,1H3,(H,20,21)
InChIKeyKCSOHIBLSJAVSF-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.11
Rot. Bonds5

About 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid (PubChem CID 100503714) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
PubChem CID100503714
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)O)o2)cc1
InChIInChI=1S/C18H15NO4/c1-2-22-13-9-7-12(8-10-13)16-11-19-17(23-16)14-5-3-4-6-15(14)18(20)21/h3-11H,2H2,1H3,(H,20,21)
InChIKeyKCSOHIBLSJAVSF-UHFFFAOYSA-N
XLogP4.11
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100504090
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylpropyl)benzamide
CID 100503798
[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 100504958
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide
CID 100503847
(4-benzhydrylpiperazin-1-yl)-[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]methanone
CID 100505048
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide
CID 100504250
N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503954
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
N-(3-chlorophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504316
N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504867
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100504854

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid (CID 100503714) is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid is CCOc1ccc(-c2cnc(-c3ccccc3C(=O)O)o2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid?
The InChIKey is KCSOHIBLSJAVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-2-22-13-9-7-12(8-10-13)16-11-19-17(23-16)14-5-3-4-6-15(14)18(20)21/h3-11H,2H2,1H3,(H,20,21).
What are the key properties of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid?
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid has a molecular weight of 309.32 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid is sourced from PubChem (CID 100503714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).