5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid

C10H5ClFNO4 — CID 136991116

IUPAC5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c(O)ccc(Cl)c2F)on1
InChIInChI=1S/C10H5ClFNO4/c11-4-1-2-6(14)8(9(4)12)7-3-5(10(15)16)13-17-7/h1-3,14H,(H,15,16)
InChIKeyBIDRQEOKFBDVIJ-UHFFFAOYSA-N
MW257.60 g/mol
LogP2.54
Rot. Bonds2

About 5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid

5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 136991116) has the molecular formula C10H5ClFNO4 and a molecular weight of 257.60 g/mol. Its IUPAC name is 5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID136991116
Molecular FormulaC10H5ClFNO4
Molecular Weight257.60 g/mol
Exact Mass256.99
IUPAC Name5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c(O)ccc(Cl)c2F)on1
InChIInChI=1S/C10H5ClFNO4/c11-4-1-2-6(14)8(9(4)12)7-3-5(10(15)16)13-17-7/h1-3,14H,(H,15,16)
InChIKeyBIDRQEOKFBDVIJ-UHFFFAOYSA-N
XLogP2.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.60
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117445060
5-(3-chloro-2,6-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117436840
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 115111261
5-(2-bromo-6-fluoro-3,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136995079
5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 136963383
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117455882
5-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 136932474
5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487455
5-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117418286
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136932487

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 136991116) is 5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2c(O)ccc(Cl)c2F)on1.
What is the InChIKey of 5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is BIDRQEOKFBDVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO4/c11-4-1-2-6(14)8(9(4)12)7-3-5(10(15)16)13-17-7/h1-3,14H,(H,15,16).
What are the key properties of 5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 257.60 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 136991116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).