3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid

C14H14FNO5 — CID 117475826

IUPAC3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)on2)c(F)cc1OC(C)C
InChIInChI=1S/C14H14FNO5/c1-7(2)20-12-5-9(15)8(4-11(12)19-3)10-6-13(14(17)18)21-16-10/h4-7H,1-3H3,(H,17,18)
InChIKeyYXLVVGGXWYOSOG-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.97
Rot. Bonds5

About 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid

3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117475826) has the molecular formula C14H14FNO5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117475826
Molecular FormulaC14H14FNO5
Molecular Weight295.27 g/mol
Exact Mass295.09
IUPAC Name3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)on2)c(F)cc1OC(C)C
InChIInChI=1S/C14H14FNO5/c1-7(2)20-12-5-9(15)8(4-11(12)19-3)10-6-13(14(17)18)21-16-10/h4-7H,1-3H3,(H,17,18)
InChIKeyYXLVVGGXWYOSOG-UHFFFAOYSA-N
XLogP2.97
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 43150115
3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 83810753
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421092
3-(2-fluoro-4-methyl-5-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421259
3-(3,6-dimethoxy-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411955
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1,2-oxazole-5-carboxylic acid
CID 117482106
3-(2,3-dimethoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411970
3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117470410
3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117455193
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid
CID 117357480
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991106

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 117475826) is 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid is COc1cc(-c2cc(C(=O)O)on2)c(F)cc1OC(C)C.
What is the InChIKey of 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is YXLVVGGXWYOSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO5/c1-7(2)20-12-5-9(15)8(4-11(12)19-3)10-6-13(14(17)18)21-16-10/h4-7H,1-3H3,(H,17,18).
What are the key properties of 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117475826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).