3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid

C14H15NO4 — CID 53308655

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid
SMILESCCOc1cc(C(=O)O)cc(-c2c(C)noc2C)c1
InChIInChI=1S/C14H15NO4/c1-4-18-12-6-10(5-11(7-12)14(16)17)13-8(2)15-19-9(13)3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyGAMMHRRBGXCHRX-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.06
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid (PubChem CID 53308655) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid
PubChem CID53308655
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid
SMILESCCOc1cc(C(=O)O)cc(-c2c(C)noc2C)c1
InChIInChI=1S/C14H15NO4/c1-4-18-12-6-10(5-11(7-12)14(16)17)13-8(2)15-19-9(13)3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyGAMMHRRBGXCHRX-UHFFFAOYSA-N
XLogP3.06
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 1090978
Oxfbd03
CID 71624782
5-(3-Methoxyphenyl)isoxazole-3-carboxylic acid
CID 1090979
4-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 706052
5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 1090980
1-[3-(Dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethan-1-ol
CID 54669868
(E)-3-[3-(2-Ethoxy-3,5-diisopropyl-phenyl)-benzo[d]isoxazol-5-yl]-but-2-enoic acid
CID 10158313
3-[4-[[3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 127047529
2,2-Dideuterio-3-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 145969097
2,2-Dideuterio-3-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]phenyl]propanoic acid
CID 145970728
2-(5-Methoxy-1,2-benzoxazol-3-yl)acetic acid
CID 12208914
3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 704150

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid (CID 53308655) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid is CCOc1cc(C(=O)O)cc(-c2c(C)noc2C)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid?
The InChIKey is GAMMHRRBGXCHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-18-12-6-10(5-11(7-12)14(16)17)13-8(2)15-19-9(13)3/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid has a molecular weight of 261.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid is sourced from PubChem (CID 53308655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).